data_1x6a_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 1x6a _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 ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 109.167 -1.573 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.47 139.31 54.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.527 1.156 . . . . 0.0 108.5 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.13 144.07 51.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.825 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 8.6 t -65.17 121.08 13.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -45.51 -47.21 14.21 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.023 0.829 . . . . 0.0 110.776 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -30.84 76.97 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 117.942 -1.477 . . . . 0.0 116.024 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 16.4 p -118.54 -9.59 10.26 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.863 2.332 . . . . 0.0 115.228 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 63.94 2.76 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.624 1.97 . . . . 0.0 111.586 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.69 142.12 31.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 120.452 1.478 . . . . 0.0 108.013 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.97 140.27 58.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.393 2.277 . . . . 0.0 109.249 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -115.72 168.11 10.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.862 0.865 . . . . 0.0 109.01 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -143.87 -37.36 0.33 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.87 -153.22 12.68 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.138 1.828 . . . . 0.0 111.425 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.21 159.63 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.035 1.824 . . . . 0.0 109.936 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -149.78 172.94 14.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.379 1.472 . . . . 0.0 108.687 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.3 mtp -122.53 146.52 47.33 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.54 128.68 66.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.95 157.91 10.19 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.574 2.349 . . . . 0.0 107.923 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.31 31.94 35.94 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 117.764 -1.575 . . . . 0.0 113.506 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.316 13.5 pt-20 55.31 22.49 4.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.63 1.972 . . . . 0.0 114.579 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 -173.88 2.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.24 1.416 . . . . 0.0 108.037 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -140.83 139.85 34.57 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.204 1.401 . . . . 0.0 107.426 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -146.23 155.55 42.76 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -65.45 154.82 87.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -66.03 -5.3 11.9 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.933 3.088 . . . . 0.0 113.365 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.293 73.8 mt-10 -108.73 -2.3 18.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.735 2.814 . . . . 0.0 113.159 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.272 58.6 m -123.08 15.76 9.92 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -103.73 92.87 4.62 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 100.576 -3.861 . . . . 0.0 100.576 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.67 161.7 35.78 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.79 124.34 21.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.3 -59.76 3.41 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.747 0.654 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -50.02 72.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.89 -13.44 27.18 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 -176.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 69.48 8.24 6.66 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.89 136.74 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -79.87 131.67 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.32 140.52 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -111.96 169.62 8.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.664 1.585 . . . . 0.0 108.848 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.27 77.26 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.203 1.801 . . . . 0.0 112.68 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.66 -27.8 1.32 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 118.544 -1.142 . . . . 0.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.09 130.7 42.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.502 1.651 . . . . 0.0 109.388 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 103.42 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.639 2.376 . . . . 0.0 115.153 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -94.43 169.97 9.82 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.55 30.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.3 mt -114.72 156.12 25.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.809 1.244 . . . . 0.0 110.757 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.31 158.53 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.85 1.66 . . . . 0.0 108.56 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -63.28 -14.33 48.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.513 1.525 . . . . 0.0 111.192 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -116.16 174.3 6.12 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.317 2.247 . . . . 0.0 107.432 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.2 84.43 0.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.878 0.871 . . . . 0.0 109.104 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 154.35 27.69 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.344 -1.473 . . . . 0.0 107.525 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 tp -141.73 135.22 29.57 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.183 0.993 . . . . 0.0 108.338 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -131.47 173.93 10.59 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.128 0.971 . . . . 0.0 109.729 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.54 150.58 20.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.15 -38.15 88.72 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.505 1.502 . . . . 0.0 112.756 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -61.25 -42.46 98.67 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.241 -1.152 . . . . 0.0 113.271 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.53 -30.02 15.22 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.266 1.826 . . . . 0.0 114.967 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -64.45 -14.11 55.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.651 1.569 . . . . 0.0 108.932 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -50.34 -34.43 23.83 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 129.141 2.977 . . . . 0.0 109.59 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.44 -32.7 64.52 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.762 0.825 . . . . 0.0 112.392 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--O 1.233 0.195 0 C-N-CA 125.226 1.411 . . . . 0.0 110.969 -178.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -85.9 140.95 29.93 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.506 1.522 . . . . 0.0 109.47 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -129.1 155.8 44.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 112.157 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 14.4 t -76.33 102.91 6.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -49.19 -41.45 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.941 1.246 . . . . 0.0 109.942 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.05 -31.65 40.81 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 118.305 -1.275 . . . . 0.0 113.983 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 p -122.81 -9.33 8.35 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.428 1.614 . . . . 0.0 114.119 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 67.14 32.69 6.0 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.163 0.985 . . . . 0.0 111.37 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -127.03 143.65 51.23 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.552 -1.342 . . . . 0.0 110.703 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 tp -66.81 139.09 57.76 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 129.37 3.068 . . . . 0.0 110.754 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.19 13.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.976 0.807 . . . . 0.0 108.999 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -134.91 8.93 3.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.841 1.656 . . . . 0.0 110.252 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.65 -168.65 11.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.757 2.598 . . . . 0.0 108.642 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.69 163.19 31.3 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.949 1.766 . . . . 0.0 111.433 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -132.76 173.85 10.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.88 2.072 . . . . 0.0 109.241 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.52 134.57 54.69 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -111.96 128.94 68.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.79 135.17 15.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 123.567 0.747 . . . . 0.0 109.006 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.12 24.18 34.92 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.269 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 82.21 -0.96 1.44 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.601 3.16 . . . . 0.0 112.14 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.79 173.7 7.86 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.329 1.452 . . . . 0.0 109.733 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -133.78 122.9 23.96 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.549 0.739 . . . . 0.0 110.031 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -140.8 149.95 42.7 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.221 0.609 . . . . 0.0 111.534 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 28.3 m170 -70.65 147.85 94.76 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.25 -36.08 92.63 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 CA-C-N 121.658 1.628 . . . . 0.0 112.447 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.19 -13.03 45.97 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.452 -1.405 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.39 -8.38 21.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 112.172 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -96.77 86.6 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.49 160.16 39.91 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.15 0.98 . . . . 0.0 111.348 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.12 123.57 21.04 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 104.033 -2.581 . . . . 0.0 104.033 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 35.7 ttp -54.46 -31.08 54.89 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.02 1.282 . . . . 0.0 113.835 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -86.26 -59.31 2.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 122.521 0.329 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.1 p -81.63 -10.86 59.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 116.787 2.143 . . . . 0.0 116.787 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.38 -1.62 1.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.038 2.135 . . . . 0.0 115.008 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.52 139.62 21.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.25 141.49 16.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mm -95.76 163.67 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' H ' ' HB3' ' A' ' 55' ' ' ASP . 12.9 mt-10 -132.63 165.66 23.94 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.746 1.218 . . . . 0.0 109.845 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.63 -13.35 62.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -114.98 17.26 17.59 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.255 2.36 . . . . 0.0 111.112 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 19.2 t0 -113.87 157.16 22.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.569 1.685 . . . . 0.0 109.408 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 127.39 33.44 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.642 0.777 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -137.41 156.96 47.57 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.461 1.104 . . . . 0.0 108.563 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.12 128.37 20.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.72 156.41 17.06 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.18 157.99 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -55.98 -34.19 65.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.528 1.131 . . . . 0.0 109.962 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -88.57 178.86 6.4 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.425 1.49 . . . . 0.0 109.725 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 81.44 2.06 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.7 m -158.49 141.01 14.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.155 1.382 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.11 119.06 23.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.912 2.085 . . . . 0.0 105.899 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -112.24 167.71 10.2 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.002 1.321 . . . . 0.0 108.848 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.38 155.13 17.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.92 -42.71 96.89 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 119.406 1.003 . . . . 0.0 110.668 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.49 -23.44 64.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.721 0.808 . . . . 0.0 111.688 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.15 -49.7 5.86 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 126.571 1.949 . . . . 0.0 111.352 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -58.76 -22.1 57.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.158 1.345 . . . . 0.0 110.123 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.26 -18.6 61.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.782 2.033 . . . . 0.0 110.667 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.9 -15.69 31.57 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.302 2.241 . . . . 0.0 111.681 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.38 0 O-C-N 121.019 -1.051 . . . . 0.0 110.914 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -83.41 160.91 21.49 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 122.773 1.273 . . . . 0.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -128.44 138.64 52.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.614 1.566 . . . . 0.0 109.777 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.41 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t -76.82 106.33 8.42 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -55.42 -45.83 76.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.78 -65.59 1.34 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.482 1.515 . . . . 0.0 110.779 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 31.5 p -82.44 -13.04 57.43 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 t 69.36 39.17 1.69 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.307 1.443 . . . . 0.0 109.03 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 mt -138.25 146.16 42.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.87 1.268 . . . . 0.0 110.592 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.32 135.12 57.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.462 3.105 . . . . 0.0 112.827 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptp -91.6 155.75 18.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.157 0.889 . . . . 0.0 108.704 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.53 -56.54 1.01 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.781 0.832 . . . . 0.0 111.487 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.78 -153.78 8.56 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.803 1.192 . . . . 0.0 110.85 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -68.09 169.48 16.5 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.206 1.938 . . . . 0.0 110.17 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 43.4 p90 -140.71 173.73 11.21 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 126.709 2.004 . . . . 0.0 109.104 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.94 155.91 43.49 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -130.36 130.89 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 125.54 1.536 . . . . 0.0 111.622 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.36 143.92 22.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 128.45 2.7 . . . . 0.0 105.49 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.0 13.04 6.07 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 117.667 -1.63 . . . . 0.0 115.299 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 84.04 6.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.751 2.82 . . . . 0.0 113.272 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.59 -175.72 4.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.05 1.34 . . . . 0.0 110.552 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -137.56 134.61 35.83 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 125.844 1.658 . . . . 0.0 106.733 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -148.55 158.15 43.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.619 1.1 . . . . 0.0 110.85 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -67.89 150.69 97.68 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 115.874 -2.33 . . . . 0.0 106.281 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 44.3 Cg_endo -65.77 -40.22 17.86 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.863 2.375 . . . . 0.0 113.493 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -3.44 9.21 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.534 1.061 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.03 -2.63 27.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.906 0.882 . . . . 0.0 112.249 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.3 87.35 7.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 101.639 -3.467 . . . . 0.0 101.639 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.2 158.81 44.29 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.468 1.107 . . . . 0.0 111.786 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.6 t -74.15 123.7 24.95 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -60.69 -40.24 91.47 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.2 2.273 . . . . 0.0 112.893 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.18 89.61 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 126.794 2.038 . . . . 0.0 115.779 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 1.4 p -112.25 -9.62 13.89 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 63.24 1.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 128.452 2.701 . . . . 0.0 116.001 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.5 140.3 18.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 119.841 1.2 . . . . 0.0 109.483 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.16 144.93 12.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 105.296 -2.112 . . . . 0.0 105.296 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -106.35 139.48 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.66 169.43 8.64 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.18 -24.49 54.8 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.367 1.467 . . . . 0.0 113.022 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.31 -14.37 38.85 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.251 1.882 . . . . 0.0 114.95 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.86 168.18 15.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.92 2.36 . . . . 0.0 112.516 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.68 99.0 11.75 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.403 1.481 . . . . 0.0 113.549 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -87.91 174.15 8.5 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.524 0.73 . . . . 0.0 109.23 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.51 124.69 6.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -110.09 156.6 20.34 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.989 1.316 . . . . 0.0 107.547 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.71 159.74 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 107.086 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -45.03 -48.33 11.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.077 1.751 . . . . 0.0 110.646 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -79.85 158.94 26.63 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.192 1.397 . . . . 0.0 109.101 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.66 76.1 0.19 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.608 1.163 . . . . 0.0 112.17 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -149.86 142.64 24.68 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.793 -1.192 . . . . 0.0 108.067 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.89 139.1 54.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.912 1.285 . . . . 0.0 111.592 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -137.0 171.37 14.61 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.119 1.768 . . . . 0.0 111.462 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -94.56 158.05 15.71 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.3 -44.09 93.51 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.317 0.962 . . . . 0.0 112.847 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -61.01 -40.14 92.43 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.96 1.38 . . . . 0.0 112.073 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.42 -46.06 70.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 109.545 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -60.29 -37.87 81.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.823 0.738 . . . . 0.0 110.807 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -57.77 -24.04 55.22 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.231 1.412 . . . . 0.0 112.105 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -100.11 -25.11 14.4 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.703 0.801 . . . . 0.0 110.972 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.464 0.257 0 O-C-N 121.218 -0.927 . . . . 0.0 110.323 179.521 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 CA-C-O 122.027 0.793 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -85.15 137.36 33.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.746 1.618 . . . . 0.0 111.548 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.68 154.98 45.75 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.209 2.204 . . . . 0.0 107.069 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' C ' ' H ' ' A' ' 20' ' ' GLY . 44.0 t -65.6 113.36 4.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.5 21.95 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.85 2.46 . . . . 0.0 114.806 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -127.93 -47.51 0.18 Allowed Glycine 0 CA--C 1.526 0.726 0 C-N-CA 127.331 2.396 . . . . 0.0 108.08 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -104.7 -6.32 20.5 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m 62.54 30.98 17.15 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.033 1.288 . . . . 0.0 112.843 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -121.89 144.79 48.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.031 1.333 . . . . 0.0 107.539 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 tp -54.53 157.99 2.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.498 2.719 . . . . 0.0 112.539 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 ptp -112.55 151.4 30.06 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 126.075 1.75 . . . . 0.0 108.55 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.3 p -127.36 -70.68 0.7 Allowed 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.75 -169.74 15.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.257 1.408 . . . . 0.0 110.13 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.2 165.64 16.63 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.117 1.878 . . . . 0.0 112.107 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -128.94 156.63 43.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.262 1.425 . . . . 0.0 108.7 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.51 123.85 36.12 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -103.57 129.63 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.382 1.473 . . . . 0.0 107.148 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.78 134.35 15.44 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.75 32.08 39.5 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.492 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 76.52 -1.83 2.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.996 2.118 . . . . 0.0 113.126 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -85.23 -176.51 6.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.329 1.422 . . . . 0.0 111.642 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -145.76 132.7 20.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.422 1.489 . . . . 0.0 108.446 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -150.6 156.72 41.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.659 1.583 . . . . 0.0 108.646 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -71.36 148.17 93.35 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 116.918 -1.913 . . . . 0.0 106.074 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.83 -46.7 27.53 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.362 2.708 . . . . 0.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.61 -3.51 1.08 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.343 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.1 m -129.9 20.36 5.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.532 1.533 . . . . 0.0 112.77 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.91 88.95 3.03 Favored 'General case' 0 N--CA 1.448 -0.57 1 N-CA-C 98.508 -4.627 . . . . 0.0 98.508 176.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.32 159.59 42.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.87 0.868 . . . . 0.0 112.379 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.476 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.5 t -63.7 124.71 22.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.492 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 47.8 tpp -51.46 -46.18 62.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.676 1.125 . . . . 0.0 110.609 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -60.75 -20.42 61.27 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 17.8 p -142.43 -8.37 0.87 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? 62.16 9.95 3.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.346 1.858 . . . . 0.0 114.122 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.0 138.55 20.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -58.5 151.03 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.23 0.956 . . . . 0.0 110.652 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.09 104.85 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 103.938 -2.616 . . . . 0.0 103.938 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -80.37 177.27 9.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.868 0.842 . . . . 0.0 110.577 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.24 3.81 0.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.243 1.817 . . . . 0.0 114.254 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.07 -0.98 2.38 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.478 1.513 . . . . 0.0 113.921 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 161.62 30.64 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.257 1.528 . . . . 0.0 113.671 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.84 109.71 15.66 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -135.7 171.09 14.96 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.38 145.0 27.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.17 1.788 . . . . 0.0 109.755 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 102.91 9.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.96 136.08 25.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 124.328 1.051 . . . . 0.0 108.412 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 43.61 33.36 0.66 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.735 2.414 . . . . 0.0 113.341 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 p80 38.99 39.91 0.41 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.859 2.064 . . . . 0.0 112.626 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.61 -16.55 0.32 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -133.58 144.07 49.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.924 1.238 . . . . 0.0 110.138 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -108.99 137.76 46.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.828 1.251 . . . . 0.0 111.561 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -136.02 161.38 35.84 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.762 1.225 . . . . 0.0 112.14 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.97 156.72 16.46 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.84 -44.61 92.08 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.16 0.891 . . . . 0.0 112.195 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.79 -36.85 75.12 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.64 1.22 . . . . 0.0 111.994 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.46 -49.21 15.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.411 1.484 . . . . 0.0 110.378 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -56.87 -35.43 68.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.594 0.633 . . . . 0.0 110.717 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -60.15 -32.89 71.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.867 1.667 . . . . 0.0 112.057 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.38 -32.05 73.5 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.024 1.33 . . . . 0.0 112.193 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 CA--C 1.533 0.322 0 C-N-CA 123.922 0.889 . . . . 0.0 109.029 -179.557 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 121.318 0.399 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -95.94 108.89 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.516 1.527 . . . . 0.0 109.424 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.03 150.75 39.43 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.431 1.093 . . . . 0.0 108.626 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 t -75.47 110.29 9.72 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -46.68 -45.72 19.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.386 0.994 . . . . 0.0 112.197 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.23 33.45 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.136 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -101.22 -16.1 17.11 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 75.88 8.21 3.61 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.685 1.594 . . . . 0.0 110.856 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -106.06 150.63 25.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.595 1.558 . . . . 0.0 111.517 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.62 168.73 12.46 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 129.325 3.05 . . . . 0.0 113.103 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.82 164.39 30.22 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.561 1.944 . . . . 0.0 107.89 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.6 p -125.66 -50.25 1.62 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.388 1.075 . . . . 0.0 108.537 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.2 -157.39 6.12 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 126.296 1.903 . . . . 0.0 111.63 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -68.81 169.11 18.4 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.546 2.164 . . . . 0.0 112.765 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.473 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 8.5 p90 -147.53 172.68 13.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.007 2.123 . . . . 0.0 108.536 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.449 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 48.2 tpp -118.29 147.19 43.7 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -133.79 138.5 50.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 125.949 1.699 . . . . 0.0 109.352 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.99 143.74 9.51 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.633 1.973 . . . . 0.0 105.805 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.44 25.39 34.11 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.578 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 75.68 6.22 3.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.298 2.239 . . . . 0.0 111.915 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.13 174.3 8.33 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.642 -1.286 . . . . 0.0 112.099 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -135.6 122.75 21.57 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.705 -1.247 . . . . 0.0 108.213 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.03 156.17 47.41 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -71.27 155.14 93.33 Favored Pre-proline 0 N--CA 1.471 0.586 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.908 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.88 -15.81 40.69 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.305 2.67 . . . . 0.0 112.549 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.92 8.86 44.56 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.602 1.161 . . . . 0.0 111.066 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.8 m -133.5 -18.66 2.18 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 30' ' ' MET . 69.0 t80 -73.78 99.87 3.28 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.18 21.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.481 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.7 t -65.67 123.56 20.04 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.74 -34.31 74.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.525 1.966 . . . . 0.0 113.222 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -73.91 -24.8 59.74 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -124.4 -11.37 7.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -177.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 66.57 4.24 3.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.047 2.139 . . . . 0.0 114.777 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG11 ' SG ' ' A' ' 47' ' ' CYS . 4.7 p -76.94 136.91 23.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 121.48 1.946 . . . . 0.0 107.487 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.89 147.54 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.623 1.202 . . . . 0.0 108.975 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.26 97.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 102.706 -3.072 . . . . 0.0 102.706 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.74 160.84 24.88 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.451 1.501 . . . . 0.0 111.324 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.36 106.17 2.41 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.48 -17.29 6.17 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.908 1.718 . . . . 0.0 112.091 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.67 -174.5 3.92 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.702 1.251 . . . . 0.0 108.238 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.9 111.62 14.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 119.924 -1.735 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.37 -172.43 4.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 108.846 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.89 109.55 5.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 103.093 -2.929 . . . . 0.0 103.093 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.96 108.72 21.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.07 157.48 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.898 1.679 . . . . 0.0 107.125 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.61 -33.23 71.22 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.107 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -79.09 150.27 31.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 59.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.688 0.795 . . . . 0.0 110.779 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.7 m -140.17 118.66 12.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 128.739 2.816 . . . . 0.0 103.484 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.75 152.53 24.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.924 0.89 . . . . 0.0 111.825 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.54 173.9 11.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.098 0.559 . . . . 0.0 111.59 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.44 147.7 22.72 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.35 74.94 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.297 0.953 . . . . 0.0 112.719 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -64.03 -32.14 73.58 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.994 1.397 . . . . 0.0 112.37 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.76 -40.68 20.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.098 0.959 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -66.38 -21.17 66.23 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.156 0.889 . . . . 0.0 109.296 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.45 -36.49 80.54 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 121.128 -0.983 . . . . 0.0 108.853 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.29 -33.22 63.17 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.441 0.696 . . . . 0.0 110.223 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.029 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -113.72 149.73 34.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.051 0.929 . . . . 0.0 110.268 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -127.77 151.91 48.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.887 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 24.4 t -63.88 117.51 7.07 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.49 -25.58 26.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.858 1.208 . . . . 0.0 110.677 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.39 -25.37 63.59 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 117.271 -1.85 . . . . 0.0 113.907 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 p -131.24 0.25 4.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 35.9 p 61.74 4.36 1.06 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.78 1.632 . . . . 0.0 114.1 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -94.79 149.1 21.59 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.517 -1.364 . . . . 0.0 108.536 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.8 159.52 30.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 129.291 3.036 . . . . 0.0 114.843 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 149.6 52.49 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.597 2.359 . . . . 0.0 105.3 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -133.58 -18.1 2.21 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.91 -148.09 16.05 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -71.49 157.19 56.88 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 121.654 1.57 . . . . 0.0 111.206 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -150.16 153.97 37.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.284 2.234 . . . . 0.0 106.333 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 40.8 tpp -91.68 142.37 27.69 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.35 128.69 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -170.68 154.91 4.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.303 1.041 . . . . 0.0 108.459 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.79 30.04 35.18 Favored Glycine 0 C--O 1.222 -0.644 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.715 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.27 23.2 pt-20 53.9 20.78 2.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.295 1.838 . . . . 0.0 114.392 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -123.6 -174.11 2.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.472 1.509 . . . . 0.0 109.237 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -128.82 130.17 46.61 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.139 0.976 . . . . 0.0 108.439 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -139.7 151.12 45.62 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 121.067 -1.02 . . . . 0.0 110.736 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.408 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 15.6 m170 -64.66 144.44 98.77 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.7 -36.54 51.61 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 CA-C-N 120.032 1.047 . . . . 0.0 112.083 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.67 2.63 7.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.438 1.095 . . . . 0.0 113.443 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.5 3.96 11.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.821 1.249 . . . . 0.0 110.735 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -87.26 98.11 11.15 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.83 158.2 39.04 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 t -63.8 124.68 22.12 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 117.533 -1.222 . . . . 0.0 107.74 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.4 mtp -56.99 -44.71 82.99 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.387 0.994 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m -67.18 -17.28 64.77 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 p -136.16 -7.89 2.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 50.08 65.21 1.5 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.268 1.427 . . . . 0.0 111.794 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.47 126.7 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -66.84 124.15 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.39 148.01 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 104.743 -2.317 . . . . 0.0 104.743 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 54' ' ' GLY . 42.1 mt-10 -133.91 179.79 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.282 1.833 . . . . 0.0 108.157 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.44 43.97 0.25 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.987 1.315 . . . . 0.0 109.291 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 52' ' ' GLU . . . -168.41 13.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.658 0 CA-C-O 117.836 -1.536 . . . . 0.0 114.359 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -132.36 130.83 41.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 120.65 2.225 . . . . 0.0 105.754 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 140.68 58.86 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.576 0.751 . . . . 0.0 112.144 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -133.39 163.24 29.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.35 24.9 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 119.66 40.08 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -97.08 120.5 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 38.27 48.66 1.19 Allowed 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 128.182 2.593 . . . . 0.0 114.026 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.9 m170 44.82 44.97 8.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.684 1.194 . . . . 0.0 109.844 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.43 -38.66 0.2 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -123.49 143.41 50.19 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.273 1.852 . . . . 0.0 112.322 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.1 tp -108.41 118.32 36.45 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 125.64 1.576 . . . . 0.0 112.145 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.51 170.72 11.15 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.562 1.145 . . . . 0.0 109.425 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.12 158.29 15.85 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.89 -44.61 94.31 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -58.37 -44.81 89.02 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.454 1.127 . . . . 0.0 110.668 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.267 1.5 m -64.47 -48.52 74.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.08 1.352 . . . . 0.0 110.89 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.52 -28.79 70.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.004 0.82 . . . . 0.0 110.461 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.4 -30.97 48.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.91 1.284 . . . . 0.0 110.255 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.25 -39.53 22.9 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.059 1.343 . . . . 0.0 112.299 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 122.244 0.914 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -78.45 150.73 32.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 127.637 2.375 . . . . 0.0 108.269 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.34 151.46 48.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.019 -1.05 . . . . 0.0 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -72.27 104.39 3.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -40.6 -58.76 1.52 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.81 2.044 . . . . 0.0 111.177 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.51 53.75 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 117.499 -1.723 . . . . 0.0 116.051 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.3 p -113.57 -12.88 12.82 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.708 2.254 . . . . 0.0 116.715 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 65.3 47.8 2.29 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.72 1.145 . . . . 0.0 110.495 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -136.13 148.55 48.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.482 1.513 . . . . 0.0 108.278 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.03 156.12 29.1 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.35 1.86 . . . . 0.0 110.6 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.539 ' HA ' ' HE2' ' A' ' 38' ' ' HIS . 14.5 ptp -119.3 143.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.95 1.3 . . . . 0.0 108.271 178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -116.29 -28.39 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.809 0.693 . . . . 0.0 109.313 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.61 177.2 21.2 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.236 1.398 . . . . 0.0 112.294 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.19 169.58 11.97 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 124.907 3.738 . . . . 0.0 113.229 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -149.92 173.22 14.04 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.914 1.286 . . . . 0.0 110.255 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 56.6 mtp -112.01 156.36 22.28 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.99 128.88 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 121.228 -0.92 . . . . 0.0 109.218 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.63 25.88 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.396 2.279 . . . . 0.0 107.307 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.64 33.99 35.02 Favored Glycine 0 C--O 1.221 -0.677 0 CA-C-O 117.368 -1.796 . . . . 0.0 114.443 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.288 2.1 pt-20 53.57 13.13 0.44 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.945 2.498 . . . . 0.0 116.616 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -122.56 168.32 12.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.442 1.474 . . . . 0.0 110.851 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -114.77 122.79 47.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.407 1.083 . . . . 0.0 110.222 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.99 160.59 30.63 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.528 1.131 . . . . 0.0 108.816 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 25' ' ' MET . 15.5 m80 -70.51 156.46 91.89 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.522 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.59 -6.43 16.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 124.188 3.259 . . . . 0.0 111.694 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -116.56 9.29 14.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.197 1.799 . . . . 0.0 111.336 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.7 m -143.47 40.99 1.46 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.938 1.295 . . . . 0.0 111.441 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -126.74 88.59 2.85 Favored 'General case' 0 C--N 1.324 -0.513 1 N-CA-C 98.571 -4.603 . . . . 0.0 98.571 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.35 163.36 33.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.89 123.46 19.03 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.919 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttm -57.61 -38.33 74.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.939 1.7 . . . . 0.0 112.258 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -73.77 -19.18 60.85 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.67 -5.8 2.22 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.78 3.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.18 2.192 . . . . 0.0 114.725 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.67 132.02 33.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 120.745 1.611 . . . . 0.0 108.474 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.2 mm -60.77 138.33 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.857 1.663 . . . . 0.0 109.368 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.88 123.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 103.36 -2.829 . . . . 0.0 103.36 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -116.34 173.3 6.67 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.182 1.793 . . . . 0.0 108.447 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.97 92.62 1.29 Allowed 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.32 -25.92 1.55 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.36 1.457 . . . . 0.0 111.185 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.48 145.65 26.16 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.08 119.35 24.38 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.744 -0.598 . . . . 0.0 111.75 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -95.7 164.71 12.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.684 1.193 . . . . 0.0 107.915 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.9 109.43 4.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.95 135.42 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -130.03 125.67 60.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.415 0.552 . . . . 0.0 109.921 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 34.35 44.65 0.11 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 129.422 3.089 . . . . 0.0 114.004 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p80 39.03 36.23 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.159 1.783 . . . . 0.0 113.01 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.64 -11.92 0.69 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.222 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -148.17 159.93 43.44 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.909 1.231 . . . . 0.0 108.891 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.0 tp -131.51 136.13 47.63 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.913 1.685 . . . . 0.0 108.224 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.58 175.33 9.52 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.347 1.459 . . . . 0.0 110.089 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.3 153.23 18.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.95 97.21 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.068 0.849 . . . . 0.0 112.703 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -65.63 -28.45 69.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.964 -1.315 . . . . 0.0 113.309 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.335 78.5 m -93.74 -31.67 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.126 0.97 . . . . 0.0 110.541 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -69.24 -25.66 64.4 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.8 -34.43 69.61 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.242 1.417 . . . . 0.0 110.554 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.61 -29.49 68.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.787 1.235 . . . . 0.0 111.048 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.232 0.154 0 C-N-CA 125.166 1.387 . . . . 0.0 109.421 -179.536 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.831 0 CA-C-O 122.229 0.905 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -84.03 145.13 28.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.779 0.832 . . . . 0.0 110.573 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -128.21 155.26 44.8 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.369 1.467 . . . . 0.0 110.627 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -71.38 109.98 5.71 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -47.24 -39.34 14.03 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.663 1.185 . . . . 0.0 110.242 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 -34.76 78.13 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-O 116.663 -2.187 . . . . 0.0 116.037 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -116.2 -8.46 11.74 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 81.11 -16.12 0.67 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.809 1.64 . . . . 0.0 111.954 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.46 144.69 30.28 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.957 -1.09 . . . . 0.0 109.766 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.95 163.26 27.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.59 2.356 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.42 101.5 6.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.4 p -82.4 73.13 9.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.96 -151.52 23.15 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.6 169.3 14.62 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 123.389 2.726 . . . . 0.0 112.891 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -148.12 163.92 35.47 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 126.119 1.767 . . . . 0.0 109.798 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.4 ttt -113.65 140.78 47.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.13 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.72 134.84 14.9 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.016 1.726 . . . . 0.0 106.652 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.86 10.6 32.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.894 -0.948 . . . . 0.0 112.89 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 87.43 -9.48 0.59 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 130.155 3.382 . . . . 0.0 112.604 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.0 177.55 8.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.303 1.841 . . . . 0.0 109.814 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -137.9 129.44 28.07 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.171 0.896 . . . . 0.0 111.516 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -139.73 159.07 43.02 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.862 0.865 . . . . 0.0 111.668 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -68.27 149.38 98.11 Favored Pre-proline 0 N--CA 1.473 0.677 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.25 -51.39 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 123.823 3.015 . . . . 0.0 112.606 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.06 -42.64 90.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 122.27 1.033 . . . . 0.0 110.184 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.33 13.1 1.0 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -110.31 82.05 1.53 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 101.018 -3.697 . . . . 0.0 101.018 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.97 167.24 20.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 112.614 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.1 t -77.52 123.79 27.05 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.99 -49.76 76.4 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 120.395 1.452 . . . . 0.0 108.671 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -57.85 -22.85 50.03 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.46 -7.01 1.74 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 71.78 -7.85 1.19 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 128.743 2.817 . . . . 0.0 115.438 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -63.27 137.95 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 120.786 1.63 . . . . 0.0 110.256 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -70.83 147.36 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.833 1.653 . . . . 0.0 106.787 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -121.89 94.51 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.752 1.16 . . . . 0.0 108.577 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -78.12 172.09 14.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.305 1.042 . . . . 0.0 109.565 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -11.91 3.19 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.77 -17.43 44.65 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 118.038 -1.424 . . . . 0.0 114.866 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.51 140.19 39.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.838 1.819 . . . . 0.0 109.517 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.42 106.8 2.64 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.536 1.134 . . . . 0.0 113.375 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -85.74 -173.54 4.67 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.51 1.124 . . . . 0.0 108.322 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.79 152.31 34.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.98 99.49 4.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.18 130.72 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -55.91 -6.83 0.25 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.53 2.332 . . . . 0.0 114.524 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -67.76 -0.61 4.28 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.595 2.358 . . . . 0.0 113.112 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 80.09 7.86 1.56 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.742 2.817 . . . . 0.0 112.225 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -113.82 150.66 33.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.312 1.445 . . . . 0.0 109.233 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.85 141.39 40.97 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.364 1.465 . . . . 0.0 108.298 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.29 159.33 42.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.01 1.724 . . . . 0.0 110.017 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.13 157.39 16.31 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 102.311 -3.218 . . . . 0.0 102.311 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.37 -46.54 52.19 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 118.599 -1.112 . . . . 0.0 111.844 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.78 -51.06 70.95 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.985 1.392 . . . . 0.0 111.527 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.39 -38.41 86.97 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.265 1.026 . . . . 0.0 111.769 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -69.53 -39.15 77.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.69 -17.28 60.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.517 1.127 . . . . 0.0 111.743 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.56 -48.97 11.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.445 -0.784 . . . . 0.0 111.515 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 122.808 0.443 . . . . 0.0 112.176 -178.556 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.238 0 CA-C-O 122.067 0.815 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -139.19 166.44 24.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.281 1.832 . . . . 0.0 109.613 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -128.95 163.95 24.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.687 2.795 . . . . 0.0 109.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 20' ' ' GLY . 41.4 t -69.55 112.83 6.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 116.616 -1.659 . . . . 0.0 108.134 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -64.83 19.8 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.182 1.793 . . . . 0.0 114.818 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -126.82 -36.16 0.53 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 128.939 3.161 . . . . 0.0 110.13 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.63 -2.7 7.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m 67.33 -3.35 1.05 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.573 1.949 . . . . 0.0 113.497 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.0 153.91 22.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 120.48 1.491 . . . . 0.0 108.313 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.31 158.64 36.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.136 2.175 . . . . 0.0 113.555 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -121.32 154.34 36.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 127.671 2.389 . . . . 0.0 106.202 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -143.05 -8.01 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.587 0.755 . . . . 0.0 112.448 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.31 -148.15 7.36 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.129 1.347 . . . . 0.0 111.173 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.02 165.68 29.3 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.048 1.832 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -147.93 173.45 12.85 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.16 1.784 . . . . 0.0 106.88 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 95.9 mtp -120.0 147.95 44.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -109.44 127.59 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.12 142.43 11.69 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.58 33.4 54.45 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.135 -1.37 . . . . 0.0 112.754 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.271 8.1 pt-20 60.28 -5.13 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.981 2.912 . . . . 0.0 115.887 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.52 -171.99 2.4 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.121 1.368 . . . . 0.0 111.236 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -134.0 138.59 45.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.219 1.407 . . . . 0.0 108.492 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -147.44 164.26 33.92 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.502 1.121 . . . . 0.0 108.674 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -63.89 154.35 81.55 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 117.998 -1.481 . . . . 0.0 112.259 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.36 -5.63 16.43 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 125.116 3.877 . . . . 0.0 113.349 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -114.32 9.6 16.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.876 2.07 . . . . 0.0 111.079 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.273 7.2 m -121.57 -4.31 9.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.468 -1.395 . . . . 0.0 114.495 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -87.67 91.68 8.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 102.299 -3.223 . . . . 0.0 102.299 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.63 153.06 51.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.33 1.052 . . . . 0.0 111.635 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -68.25 123.77 21.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.44 -30.7 71.42 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.626 1.103 . . . . 0.0 111.915 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -33.03 69.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.04 -10.58 7.63 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.113 1.524 . . . . 0.0 115.113 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp 66.28 7.49 4.93 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.159 1.784 . . . . 0.0 115.315 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.86 142.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 105.358 -2.089 . . . . 0.0 105.358 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.1 mm -69.05 148.61 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.59 102.53 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 103.543 -2.762 . . . . 0.0 103.543 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.8 171.54 7.72 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.1 10.59 0.28 Allowed 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.036 -1.04 . . . . 0.0 112.477 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.0 28.1 4.18 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.408 1.956 . . . . 0.0 116.813 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -131.69 177.04 7.82 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.585 2.692 . . . . 0.0 108.272 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.55 144.06 36.72 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.366 -0.834 . . . . 0.0 109.292 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -136.4 169.34 17.83 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.153 0.981 . . . . 0.0 109.856 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.69 130.31 16.92 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.7 mt -98.82 119.88 38.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.73 124.88 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 38.85 46.08 1.02 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.283 2.233 . . . . 0.0 112.001 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 44.03 23.84 0.07 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.959 2.903 . . . . 0.0 114.765 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.39 -6.06 2.28 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.6 m -136.15 140.43 43.64 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 tp -118.69 128.79 54.85 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.07 0.948 . . . . 0.0 112.201 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -133.44 161.69 33.89 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.982 0.913 . . . . 0.0 110.569 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.11 161.59 14.69 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -48.69 44.07 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.816 0.735 . . . . 0.0 113.135 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -62.78 -36.05 81.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.688 1.244 . . . . 0.0 112.845 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.84 -51.11 11.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.655 1.182 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.61 -30.56 68.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.988 0.813 . . . . 0.0 110.743 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -60.94 -22.99 64.94 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.945 -0.472 . . . . 0.0 111.931 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -79.67 -42.26 25.15 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.922 1.289 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.82 -179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 121.564 0.536 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.17 149.46 22.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.22 1.808 . . . . 0.0 109.655 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -128.54 150.96 49.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.661 1.985 . . . . 0.0 107.715 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 20' ' ' GLY . 37.2 t -55.55 116.88 3.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.739 1.154 . . . . 0.0 110.053 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -73.53 31.12 0.07 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.87 1.668 . . . . 0.0 112.849 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -135.16 -31.77 0.32 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 128.044 2.735 . . . . 0.0 110.626 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -129.73 -0.78 4.85 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m 70.69 -8.52 0.91 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.436 1.494 . . . . 0.0 113.49 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 154.32 22.65 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.313 1.869 . . . . 0.0 111.319 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 26' ' ' THR . 25.1 tp -68.96 143.69 54.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 127.335 2.254 . . . . 0.0 112.93 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -20.25 49.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.242 1.017 . . . . 0.0 111.963 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.434 ' H ' ' HG ' ' A' ' 24' ' ' LEU . 64.0 p 55.11 35.13 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.793 1.637 . . . . 0.0 111.584 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.4 -108.37 0.69 Allowed Glycine 0 CA--C 1.527 0.799 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.828 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.84 153.72 58.67 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.902 2.401 . . . . 0.0 114.681 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -149.88 175.07 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 128.722 2.809 . . . . 0.0 107.811 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.3 mtp -118.69 149.79 40.83 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -124.43 130.0 73.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.783 0.833 . . . . 0.0 110.955 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.99 132.96 15.15 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.44 18.66 58.9 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 76.41 -3.41 2.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.439 2.695 . . . . 0.0 111.545 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -79.17 164.13 24.47 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.243 1.817 . . . . 0.0 110.516 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -119.61 125.13 48.02 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.787 0.835 . . . . 0.0 111.516 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -137.26 154.91 50.03 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.351 0.66 . . . . 0.0 110.28 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -67.9 150.65 97.69 Favored Pre-proline 0 N--CA 1.48 1.044 0 CA-C-O 117.012 -1.471 . . . . 0.0 108.196 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.83 -46.54 19.33 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.546 2.164 . . . . 0.0 111.425 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.14 1.34 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.151 -0.968 . . . . 0.0 113.158 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -120.58 1.18 10.59 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.235 1.414 . . . . 0.0 112.084 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -91.07 98.55 11.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 100.494 -3.891 . . . . 0.0 100.494 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.33 160.89 39.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.27 123.06 18.58 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.75 -31.63 69.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.854 1.207 . . . . 0.0 112.073 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -44.09 40.97 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.615 1.566 . . . . 0.0 114.72 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.7 p -105.99 -5.89 19.2 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 62.35 -0.27 0.53 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.742 2.417 . . . . 0.0 116.192 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.1 143.9 14.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-N 120.688 1.586 . . . . 0.0 108.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.24 139.08 20.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -105.68 110.84 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 101.98 -3.341 . . . . 0.0 101.98 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.98 164.69 10.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.936 0.494 . . . . 0.0 111.148 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.19 50.63 0.92 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.171 2.188 . . . . 0.0 109.87 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.65 -21.11 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 128.711 3.053 . . . . 0.0 110.901 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.77 149.82 48.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.764 1.782 . . . . 0.0 109.071 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 86.09 1.07 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.802 0.811 . . . . 0.0 109.733 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -78.88 169.95 17.44 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.069 1.348 . . . . 0.0 109.565 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.95 109.34 3.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tp -90.6 156.57 18.04 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 62' ' ' HIS . 90.5 t -127.04 159.94 36.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 125.016 1.326 . . . . 0.0 108.475 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -60.79 1.45 0.14 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 0.0 113.133 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 60' ' ' VAL . 32.6 t60 -111.89 167.47 10.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.046 2.938 . . . . 0.0 108.488 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' C ' ' HG1' ' A' ' 64' ' ' THR . . . -81.52 67.04 7.33 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.462 ' HG1' ' C ' ' A' ' 63' ' ' ALA . 67.5 m -149.9 152.2 34.66 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 120.47 -1.394 . . . . 0.0 109.21 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 tp -128.77 142.15 51.08 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.328 1.851 . . . . 0.0 109.184 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.68 169.31 17.74 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.564 1.146 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.9 160.28 14.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.34 -44.56 89.67 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.044 0.838 . . . . 0.0 112.985 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -59.32 5.55 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.215 1.008 . . . . 0.0 109.738 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.28 63.6 m -59.0 -32.71 69.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.28 1.032 . . . . 0.0 112.606 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -64.07 -39.56 94.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.818 1.19 . . . . 0.0 109.021 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -70.04 -40.26 75.25 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -60.97 -25.65 67.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.205 1.802 . . . . 0.0 112.932 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 119.128 0.877 . . . . 0.0 110.883 179.661 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 0 CA-C-O 122.299 0.944 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -115.61 109.06 17.22 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -72.84 129.01 37.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.115 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.91 114.77 6.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.133 -1.413 . . . . 0.0 108.021 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.12 -23.35 46.53 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.662 1.119 . . . . 0.0 110.021 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.21 -27.48 63.91 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.973 -1.459 . . . . 0.0 113.747 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.08 -1.55 1.95 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 58.8 52.71 6.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.827 1.194 . . . . 0.0 110.362 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -142.67 154.99 44.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.805 1.242 . . . . 0.0 108.412 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 tp -73.76 122.63 22.72 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.608 1.963 . . . . 0.0 113.042 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.6 ptp -83.98 152.56 24.38 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -136.56 -11.85 1.82 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.18 -152.61 10.67 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.112 1.339 . . . . 0.0 109.854 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.31 169.53 12.23 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.16 2.573 . . . . 0.0 110.971 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -140.57 172.32 12.88 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.333 0.653 . . . . 0.0 112.608 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 91.5 mtp -131.75 162.66 29.97 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -134.41 141.83 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 125.063 1.345 . . . . 0.0 107.82 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.69 123.99 8.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.23 32.33 71.61 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-O 119.107 -0.829 . . . . 0.0 114.241 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 74.46 6.6 4.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.526 1.13 . . . . 0.0 111.741 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -106.76 159.15 16.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.364 . . . . 0.0 109.344 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -105.64 122.58 46.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.257 1.023 . . . . 0.0 112.214 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -133.34 149.6 51.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.187 1.395 . . . . 0.0 110.655 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -78.28 155.56 79.31 Favored Pre-proline 0 N--CA 1.476 0.874 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -59.61 -47.85 15.01 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 124.138 3.226 . . . . 0.0 112.616 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 4.42 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.68 1.992 . . . . 0.0 114.886 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.17 4.6 2.48 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.51 1.524 . . . . 0.0 110.586 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.62 85.27 7.45 Favored 'General case' 0 N--CA 1.45 -0.46 1 N-CA-C 98.324 -4.695 . . . . 0.0 98.324 177.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -140.41 154.07 46.55 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.025 -1.047 . . . . 0.0 113.683 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 11.2 t -63.67 123.76 19.67 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.01 -49.38 73.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.118 0.872 . . . . 0.0 111.828 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -62.17 -26.28 68.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -126.35 -11.1 6.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -176.612 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp 50.18 63.5 2.17 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.222 1.809 . . . . 0.0 111.82 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.65 133.54 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.32 135.44 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.59 92.74 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 100.996 -3.705 . . . . 0.0 100.996 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.17 174.54 6.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.236 0.541 . . . . 0.0 109.85 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.93 -12.01 4.03 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.349 1.459 . . . . 0.0 113.932 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.0 -8.92 38.24 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 117.487 -1.729 . . . . 0.0 113.833 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.51 150.96 23.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.638 2.219 . . . . 0.0 108.371 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.61 87.04 5.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.52 0.676 . . . . 0.0 110.66 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.66 169.03 19.04 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.809 0.844 . . . . 0.0 111.252 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.44 153.16 40.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.156 1.782 . . . . 0.0 107.767 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -133.33 127.08 32.76 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.722 1.209 . . . . 0.0 110.581 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG11 ' H ' ' A' ' 62' ' ' HIS . 54.1 t -93.86 158.53 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.81 -17.87 10.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.436 ' H ' HG11 ' A' ' 60' ' ' VAL . 16.8 m170 -88.57 -179.66 6.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.688 1.995 . . . . 0.0 110.315 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.24 49.18 1.09 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -143.57 143.71 31.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.249 1.019 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.64 144.31 48.83 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.41 176.06 8.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 122.397 1.094 . . . . 0.0 109.261 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.74 161.46 14.32 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.18 -44.62 93.15 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.754 1.161 . . . . 0.0 112.233 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -61.14 -33.03 72.75 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.834 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.253 1.3 m -79.32 -42.94 24.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.188 1.795 . . . . 0.0 110.483 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -66.14 -41.91 89.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.563 1.074 . . . . 0.0 110.81 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.46 -21.07 61.92 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.565 0.746 . . . . 0.0 111.964 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -85.96 -44.37 12.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.308 1.043 . . . . 0.0 110.509 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.469 0.495 0 O-C-N 121.042 -1.036 . . . . 0.0 111.838 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.352 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 154.83 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.957 1.303 . . . . 0.0 108.097 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -128.46 147.7 50.69 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.606 1.562 . . . . 0.0 107.768 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 t -68.7 109.62 3.9 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.527 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -50.36 -40.77 50.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.232 1.833 . . . . 0.0 111.276 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.93 -34.63 30.73 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.368 -1.24 . . . . 0.0 113.632 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.7 p -122.72 -10.26 8.32 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.308 1.554 . . . . 0.0 114.35 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m 70.48 0.12 3.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.735 2.814 . . . . 0.0 113.417 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.96 159.52 18.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.558 1.072 . . . . 0.0 109.23 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 25' ' ' MET . 49.4 tp -62.63 164.12 8.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.46 1.904 . . . . 0.0 111.578 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.419 ' H ' HD12 ' A' ' 24' ' ' LEU . 24.0 ptp -125.27 152.09 45.1 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.035 2.134 . . . . 0.0 106.393 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.7 p -115.87 -6.09 12.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.24 -133.98 1.94 Allowed Glycine 0 CA--C 1.526 0.747 0 CA-C-O 118.29 -1.283 . . . . 0.0 110.162 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -65.56 170.14 11.59 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.452 2.768 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 6.5 p90 -142.34 169.01 18.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 127.281 2.232 . . . . 0.0 107.167 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.5 mtp -116.23 128.69 55.81 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.17 129.17 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.59 140.47 17.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.27 22.92 23.91 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.789 -1.006 . . . . 0.0 113.889 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 75.19 11.75 3.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.28 2.232 . . . . 0.0 112.468 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.71 179.04 5.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.305 1.842 . . . . 0.0 112.304 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.644 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 25.3 mmtp -132.76 122.09 24.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.589 1.556 . . . . 0.0 107.817 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.87 150.52 50.47 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -61.5 149.92 82.37 Favored Pre-proline 0 N--CA 1.473 0.715 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.267 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 -5.64 17.47 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.295 3.33 . . . . 0.0 113.663 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -118.12 16.4 14.11 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.582 1.953 . . . . 0.0 109.306 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.7 m -135.54 3.16 3.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -83.87 115.7 22.4 Favored 'General case' 0 C--N 1.328 -0.328 1 N-CA-C 100.125 -4.028 . . . . 0.0 100.125 177.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.74 159.96 43.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.281 0.946 . . . . 0.0 112.518 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.9 t -66.47 123.33 19.72 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 100.54 -3.874 . . . . 0.0 100.54 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -58.2 -54.24 49.26 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 121.482 1.946 . . . . 0.0 108.507 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -59.08 3.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.747 2.019 . . . . 0.0 113.462 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -91.36 -9.58 44.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt 64.42 -0.09 0.98 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.868 2.467 . . . . 0.0 115.628 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.0 p -70.68 143.87 14.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 120.694 1.588 . . . . 0.0 109.575 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.0 mm -66.0 144.09 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 124.683 1.193 . . . . 0.0 109.064 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -114.74 139.75 39.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -126.77 175.76 7.76 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 126.53 1.932 . . . . 0.0 109.115 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.48 49.96 1.39 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 123.065 1.412 . . . . 0.0 107.973 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.86 -11.33 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 C-N-CA 127.696 2.569 . . . . 0.0 112.025 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -92.66 -150.54 0.27 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.73 31.35 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -144.62 166.75 24.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 111.792 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.5 125.02 11.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.187 1.395 . . . . 0.0 108.9 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 146.0 24.98 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.71 160.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 126.503 1.921 . . . . 0.0 108.85 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -52.08 -57.0 10.89 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.657 1.583 . . . . 0.0 108.235 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.85 146.98 53.83 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.78 62.11 0.1 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.205 2.202 . . . . 0.0 112.479 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -139.32 135.88 34.24 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.0 tp -108.83 138.79 44.6 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.931 1.292 . . . . 0.0 108.632 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -133.98 163.11 30.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.477 1.111 . . . . 0.0 109.238 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.37 162.46 14.25 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.77 16.58 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.885 1.231 . . . . 0.0 113.367 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.65 -52.19 61.83 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.017 0.909 . . . . 0.0 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.284 1.5 m -56.52 -43.48 79.82 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.892 1.277 . . . . 0.0 111.416 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -68.82 -37.02 78.93 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.831 1.196 . . . . 0.0 108.762 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.82 -12.1 22.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.672 0.789 . . . . 0.0 111.413 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -100.2 -45.55 5.59 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.237 1.015 . . . . 0.0 113.092 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 CA-C-O 121.916 0.731 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -98.24 143.45 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.959 1.304 . . . . 0.0 109.199 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -129.28 160.18 33.81 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.798 2.039 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.9 t -73.65 106.95 5.63 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -46.9 -42.35 17.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.743 1.156 . . . . 0.0 113.31 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.13 -27.6 71.68 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.456 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 2.2 p -120.59 -7.12 9.68 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t 70.82 -13.0 0.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.735 1.614 . . . . 0.0 114.052 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.35 148.18 37.61 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 119.853 -1.779 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.91 153.01 25.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.393 1.477 . . . . 0.0 110.509 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.7 ptp -107.53 -50.8 3.01 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.253 7.5 t 43.87 29.58 0.32 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.061 2.144 . . . . 0.0 113.198 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.64 -146.46 4.86 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.211 1.386 . . . . 0.0 111.843 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.55 154.91 61.63 Favored 'Trans proline' 0 C--O 1.241 0.628 0 C-N-CA 122.748 2.299 . . . . 0.0 112.847 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.3 167.68 25.41 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 125.898 1.679 . . . . 0.0 111.237 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.7 mtp -128.52 147.98 50.72 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.65 129.79 74.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 125.0 1.32 . . . . 0.0 112.366 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.34 140.74 15.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.55 20.37 51.39 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.788 -1.007 . . . . 0.0 113.915 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 77.79 5.21 2.91 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.443 2.697 . . . . 0.0 113.353 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -101.53 -177.58 3.47 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.011 1.324 . . . . 0.0 108.614 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -132.18 140.97 48.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -141.51 156.87 45.7 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.75 0.82 . . . . 0.0 110.64 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -70.87 147.24 94.01 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -62.8 -31.91 78.03 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.522 2.148 . . . . 0.0 109.935 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.94 -8.67 16.6 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.203 -1.561 . . . . 0.0 111.837 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.96 -4.21 12.6 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.331 1.853 . . . . 0.0 112.619 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -89.5 94.3 9.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.84 167.36 24.97 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 4.2 t -85.57 123.56 31.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 mmt -61.98 -57.6 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.62 1.168 . . . . 0.0 109.01 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.69 -19.11 5.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.471 1.909 . . . . 0.0 115.567 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -130.6 -10.61 4.0 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 52.09 58.76 5.1 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 127.695 2.398 . . . . 0.0 111.692 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.25 137.85 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.31 140.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mt -102.23 108.83 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.29 156.31 35.76 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.71 106.14 3.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.55 -26.4 1.97 Allowed Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.362 -1.244 . . . . 0.0 110.442 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -86.07 153.67 21.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.568 1.684 . . . . 0.0 108.422 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.81 148.25 32.96 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.01 -1.056 . . . . 0.0 111.325 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -143.07 168.21 20.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.741 1.216 . . . . 0.0 109.31 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.59 139.83 29.87 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.04 114.35 26.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -94.22 108.07 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' C ' ' H ' ' A' ' 63' ' ' ALA . 1.6 mp0 48.33 28.42 1.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.026 2.13 . . . . 0.0 113.064 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 m170 71.5 -36.03 0.35 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.909 2.483 . . . . 0.0 110.942 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -59.01 -29.5 67.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.957 2.103 . . . . 0.0 114.622 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.34 155.83 49.94 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.911 1.232 . . . . 0.0 111.066 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -126.22 134.14 51.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.079 1.752 . . . . 0.0 107.833 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -134.89 161.44 35.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.674 1.59 . . . . 0.0 108.966 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.2 161.85 14.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.62 -48.59 60.57 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.608 1.095 . . . . 0.0 112.246 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -58.49 -58.37 8.85 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.265 -1.138 . . . . 0.0 110.795 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.98 -41.72 75.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.211 2.204 . . . . 0.0 112.521 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -73.8 -45.13 53.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.62 0.646 . . . . 0.0 109.915 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -53.83 -37.63 63.79 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 123.71 0.804 . . . . 0.0 109.666 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -63.05 -50.63 69.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.635 1.574 . . . . 0.0 111.811 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.15 -179.094 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.272 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.84 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -128.6 154.21 46.45 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.811 1.644 . . . . 0.0 109.098 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.53 121.44 15.85 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.41 -29.78 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.034 0.834 . . . . 0.0 112.071 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.16 -66.39 2.04 Favored Glycine 0 CA--C 1.522 0.491 0 O-C-N 121.675 -0.641 . . . . 0.0 112.3 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -78.41 -11.6 59.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.07 20.41 12.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.313 1.445 . . . . 0.0 111.912 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.17 153.54 25.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.472 1.509 . . . . 0.0 111.22 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.39 169.08 17.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.974 2.11 . . . . 0.0 111.783 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 156.97 45.35 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.334 1.854 . . . . 0.0 108.384 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 p -136.57 7.68 3.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.761 1.624 . . . . 0.0 110.801 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.6 -166.39 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 128.338 2.875 . . . . 0.0 109.953 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.24 168.99 22.89 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.926 2.418 . . . . 0.0 111.177 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -149.82 169.13 21.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.736 1.615 . . . . 0.0 107.912 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mtp -120.69 161.79 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.34 129.59 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.25 112.92 7.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.74 26.08 64.5 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 118.877 -0.957 . . . . 0.0 113.137 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 77.29 -0.62 2.86 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.457 1.903 . . . . 0.0 111.662 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.44 167.95 13.55 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.082 1.353 . . . . 0.0 110.908 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -120.67 133.2 55.38 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.445 1.098 . . . . 0.0 110.192 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.79 155.03 42.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.092 1.357 . . . . 0.0 108.775 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.08 148.72 60.97 Favored Pre-proline 0 C--O 1.24 0.577 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.64 -48.76 12.01 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.366 2.711 . . . . 0.0 112.799 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -62.77 6.71 0.09 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.237 1.415 . . . . 0.0 114.488 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.9 m -133.17 -8.91 2.99 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.613 1.565 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -78.75 89.33 4.61 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.27 163.84 31.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.446 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 22.2 t -69.4 124.22 23.3 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.1 tpp -46.69 -54.11 10.3 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.954 0.902 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.9 m -73.44 -13.35 61.05 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 117.511 2.411 . . . . 0.0 117.511 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -130.82 -8.95 3.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 122.155 2.252 . . . . 0.0 115.54 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 58.4 5.39 0.43 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -68.92 139.71 20.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 120.772 1.624 . . . . 0.0 108.996 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.7 mm -77.98 120.67 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mt -84.76 164.46 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -131.93 167.31 19.84 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -80.81 63.97 5.41 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.59 23.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 C-N-CA 126.689 2.09 . . . . 0.0 110.819 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -147.65 133.01 18.53 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 121.47 12.46 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 126.478 1.911 . . . . 0.0 113.001 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -117.93 172.84 7.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.842 1.257 . . . . 0.0 108.214 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.2 112.24 7.26 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.67 149.59 31.2 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.32 156.85 21.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.05 176.93 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 110.21 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 m170 57.11 19.15 4.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.1 0.96 . . . . 0.0 111.62 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.53 27.3 13.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.307 2.243 . . . . 0.0 112.018 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -84.6 156.82 21.41 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 tp -150.39 141.41 22.98 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.045 -1.659 . . . . 0.0 109.147 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -134.71 165.88 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.555 0.693 . . . . 0.0 109.523 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.5 161.74 14.5 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -47.91 41.46 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 118.854 0.752 . . . . 0.0 113.172 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -61.94 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.534 1.167 . . . . 0.0 111.815 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.0 -44.8 71.18 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.955 1.702 . . . . 0.0 112.123 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -64.61 -46.27 83.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 119.194 0.906 . . . . 0.0 109.587 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -60.58 -21.91 63.14 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.628 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.17 -58.22 3.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.344 1.058 . . . . 0.0 109.553 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 118.605 0.639 . . . . 0.0 112.558 -179.143 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.397 0 CA-C-O 122.528 1.071 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -107.4 150.5 26.67 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.528 1.531 . . . . 0.0 109.489 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -129.1 160.07 33.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.609 1.563 . . . . 0.0 109.178 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.02 100.79 3.67 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -49.69 -35.18 20.84 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.763 1.225 . . . . 0.0 112.229 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.19 -51.81 54.11 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.778 -1.012 . . . . 0.0 112.159 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.3 -11.27 21.4 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m 63.51 60.28 1.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.012 0.823 . . . . 0.0 109.715 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -147.69 143.07 27.36 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.505 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.1 tp -73.89 169.82 16.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.538 1.935 . . . . 0.0 111.69 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.06 162.85 30.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.294 1.838 . . . . 0.0 107.165 176.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -131.85 13.69 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 111.803 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.21 -155.8 6.65 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.193 1.378 . . . . 0.0 110.613 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.24 167.15 17.08 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 122.694 2.263 . . . . 0.0 111.324 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -145.5 167.92 21.83 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.72 1.208 . . . . 0.0 109.804 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 tpt -108.92 126.94 53.61 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 t -109.57 129.14 64.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.73 142.84 18.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.453 0.701 . . . . 0.0 109.393 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.64 10.68 19.17 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.284 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 88.54 2.92 0.28 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.432 3.493 . . . . 0.0 110.667 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.24 172.38 6.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.172 1.789 . . . . 0.0 109.032 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -130.83 141.36 50.33 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.737 -0.602 . . . . 0.0 112.023 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -144.92 161.11 40.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.692 0.797 . . . . 0.0 113.08 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.54 146.11 90.99 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.124 -1.417 . . . . 0.0 107.495 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -44.33 30.26 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.295 2.664 . . . . 0.0 110.611 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.35 -3.57 6.24 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.406 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.3 9.86 5.69 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.993 1.317 . . . . 0.0 111.317 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -88.18 89.53 8.03 Favored 'General case' 0 N--CA 1.45 -0.47 1 N-CA-C 98.675 -4.565 . . . . 0.0 98.675 176.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.53 158.02 45.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.7 t -66.07 124.87 23.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -61.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 119.487 1.04 . . . . 0.0 113.317 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -57.96 -28.52 64.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.3 p -120.46 -10.68 9.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 67.06 1.47 2.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.753 2.021 . . . . 0.0 114.703 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.3 p -66.02 134.98 29.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-N 120.493 1.497 . . . . 0.0 108.0 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.63 153.32 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.62 109.44 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.93 167.86 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -65.88 -0.37 2.24 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -9.98 37.79 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.746 1.641 . . . . 0.0 110.588 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -83.71 -165.15 1.04 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.26 1.424 . . . . 0.0 107.684 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.91 115.14 10.99 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -108.69 170.24 8.16 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.408 0.683 . . . . 0.0 110.334 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.86 11.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 151.56 43.56 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.49 157.68 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -49.42 -23.31 1.45 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.439 1.896 . . . . 0.0 113.699 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.85 -165.09 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.958 1.703 . . . . 0.0 109.375 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.19 47.93 0.9 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -137.78 139.2 39.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.474 1.11 . . . . 0.0 110.822 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.19 143.68 38.3 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.607 1.963 . . . . 0.0 109.548 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.71 168.9 17.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.494 1.14 . . . . 0.0 113.171 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.59 139.91 30.23 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.54 -35.46 56.81 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-N 119.512 1.051 . . . . 0.0 113.998 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -61.16 -54.84 39.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.288 1.544 . . . . 0.0 110.544 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.1 m -71.9 -34.45 69.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.282 1.033 . . . . 0.0 112.691 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -62.02 -36.34 81.25 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.821 1.191 . . . . 0.0 109.105 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.53 -11.66 26.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.214 0.606 . . . . 0.0 111.325 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.38 -24.52 14.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.691 1.596 . . . . 0.0 109.992 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 O-C-N 120.804 -1.185 . . . . 0.0 112.111 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.791 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.16 154.67 25.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.242 -0.979 . . . . 0.0 108.718 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -117.97 159.68 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.212 2.205 . . . . 0.0 107.702 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 43.2 t -74.34 107.54 6.57 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -46.36 -31.84 2.83 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.346 1.458 . . . . 0.0 113.606 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.53 -63.18 3.86 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 p -87.02 -11.79 49.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 41.16 11.61 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.608 1.963 . . . . 0.0 111.56 -177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.59 141.25 51.92 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.0 167.92 1.47 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.736 2.814 . . . . 0.0 113.897 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.05 157.48 45.59 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.026 1.73 . . . . 0.0 110.131 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -136.72 29.12 2.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.876 2.07 . . . . 0.0 110.111 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.66 -168.58 18.9 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.48 168.5 21.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.43 3.42 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -149.42 173.18 13.84 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.571 1.148 . . . . 0.0 110.345 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.8 tpp -105.56 141.03 37.74 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.25 128.31 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.7 142.05 2.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.69 1.596 . . . . 0.0 107.76 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.84 30.28 62.85 Favored Glycine 0 C--O 1.223 -0.565 0 CA-C-O 116.953 -2.026 . . . . 0.0 114.083 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.277 5.4 pt-20 53.97 10.18 0.26 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.084 2.554 . . . . 0.0 114.928 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -107.43 -176.51 3.09 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.457 2.303 . . . . 0.0 110.633 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -128.0 123.06 33.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.894 -1.129 . . . . 0.0 111.423 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -136.35 152.09 50.28 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.205 0.602 . . . . 0.0 110.862 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 31.4 m170 -69.17 150.93 97.27 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.3 -49.37 9.4 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 110.623 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.77 -6.11 3.38 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.87 0.868 . . . . 0.0 112.604 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -119.73 20.62 12.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.537 1.135 . . . . 0.0 111.74 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -116.84 85.59 2.35 Favored 'General case' 0 N--CA 1.449 -0.52 1 N-CA-C 99.424 -4.287 . . . . 0.0 99.424 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.44 159.73 41.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.949 0.9 . . . . 0.0 113.41 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.11 123.54 20.55 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -51.23 61.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.181 1.355 . . . . 0.0 113.355 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -60.28 -59.45 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.39 -12.75 53.89 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 67.85 2.44 3.08 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.697 1.999 . . . . 0.0 114.375 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 p -72.61 138.9 20.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 119.777 1.171 . . . . 0.0 108.907 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.11 149.42 11.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.7 mt -113.1 148.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 54' ' ' GLY . 24.4 mt-10 -132.15 177.16 7.78 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.717 1.207 . . . . 0.0 108.42 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.01 20.47 0.1 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.579 1.552 . . . . 0.0 111.65 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 52' ' ' GLU . . . -119.32 -11.48 7.37 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 126.456 1.979 . . . . 0.0 114.334 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -118.4 -165.27 1.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.329 2.065 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.43 140.95 48.8 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.702 1.201 . . . . 0.0 109.416 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -129.88 162.33 28.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.0 150.61 41.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 tp -123.66 114.17 19.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.84 120.29 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 48.35 24.9 0.77 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.829 2.052 . . . . 0.0 112.835 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m170 53.58 32.04 13.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.964 1.306 . . . . 0.0 109.774 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.07 -22.92 3.39 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.459 1.904 . . . . 0.0 113.341 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -140.39 146.33 38.23 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.237 0.926 . . . . 0.0 110.871 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -108.94 133.16 53.31 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.375 1.87 . . . . 0.0 110.91 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.24 166.17 25.23 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.907 0.883 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.81 161.78 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.65 -44.73 86.26 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 120.008 1.276 . . . . 0.0 113.162 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -59.32 -53.56 56.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.55 1.175 . . . . 0.0 109.726 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.11 -37.1 81.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.558 1.543 . . . . 0.0 111.551 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -73.78 -15.99 61.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.329 -0.857 . . . . 0.0 110.054 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -83.11 -13.15 56.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.016 -1.053 . . . . 0.0 111.566 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.91 -31.61 12.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.815 -1.178 . . . . 0.0 111.08 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 118.738 0.699 . . . . 0.0 112.34 -179.291 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -103.9 154.65 19.39 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.77 142.94 50.83 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.79 109.56 2.51 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -47.85 -41.96 25.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 124.04 0.837 . . . . 0.0 110.393 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -33.61 60.07 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-O 117.454 -1.748 . . . . 0.0 115.264 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -121.92 -7.65 8.94 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.416 1.608 . . . . 0.0 115.066 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.77 -0.05 1.39 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.629 1.572 . . . . 0.0 113.766 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 mt -79.38 163.95 24.42 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 120.4 -1.438 . . . . 0.0 110.928 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -81.54 151.89 27.52 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.174 2.189 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -135.49 155.98 49.64 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 p -134.36 -9.09 2.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.197 1.399 . . . . 0.0 110.456 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.81 -163.54 25.97 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 127.23 2.348 . . . . 0.0 111.7 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.95 167.56 25.64 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 109.965 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.16 174.34 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.496 1.519 . . . . 0.0 108.416 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.3 ttt -121.49 134.65 55.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.6 t -103.18 129.59 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.69 133.94 14.29 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.3 10.53 42.3 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.277 -0.735 . . . . 0.0 111.622 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 93.9 -20.88 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 1 C-N-CA 132.101 4.16 . . . . 0.0 110.371 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.86 161.39 31.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.221 2.208 . . . . 0.0 110.438 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -110.65 125.25 53.24 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.95 146.65 52.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.006 0.923 . . . . 0.0 108.673 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -70.12 151.37 96.01 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.97 -43.26 20.28 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.391 1.394 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 3.44 0.43 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.805 2.042 . . . . 0.0 114.29 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.31 -8.64 3.34 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.438 1.095 . . . . 0.0 111.37 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.0 83.32 8.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 100.456 -3.905 . . . . 0.0 100.456 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.17 153.48 51.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.123 1.369 . . . . 0.0 113.647 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.507 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 42.1 t -63.48 123.32 18.48 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.4 mmm -58.02 -49.55 76.46 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.497 1.044 . . . . 0.0 112.543 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -61.38 -58.39 8.42 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 1.2 p -78.82 -19.15 52.8 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 60.84 48.61 6.72 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 126.065 1.746 . . . . 0.0 111.823 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.92 139.04 50.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -62.26 148.61 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.99 1.431 . . . . 0.0 107.689 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -115.51 82.28 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 54' ' ' GLY . 36.0 mt-10 -72.31 176.83 4.94 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.68 12.17 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.655 1.982 . . . . 0.0 115.71 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 52' ' ' GLU . . . -115.72 -2.41 20.86 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.674 2.083 . . . . 0.0 113.057 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -127.59 136.09 51.18 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.77 110.81 22.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 124.221 1.008 . . . . 0.0 111.613 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -71.0 -179.74 2.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.342 1.457 . . . . 0.0 110.004 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.34 111.42 3.85 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.36 144.31 38.07 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.55 157.42 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.045 1.338 . . . . 0.0 107.925 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -52.59 -36.01 55.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.822 1.249 . . . . 0.0 112.025 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.74 143.99 26.86 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.28 69.37 0.09 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.597 1.559 . . . . 0.0 113.272 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -141.03 147.64 38.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.083 1.753 . . . . 0.0 106.356 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tp -108.73 141.7 40.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 120.848 -1.157 . . . . 0.0 109.737 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 162.36 35.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.823 1.249 . . . . 0.0 109.805 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 158.43 15.46 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.87 92.48 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 119.619 1.099 . . . . 0.0 112.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.2 -50.14 74.85 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.206 1.003 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.273 1.7 m -61.49 -43.31 99.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 110.332 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.76 -50.66 68.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.959 1.254 . . . . 0.0 109.254 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.54 -26.89 65.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.981 1.312 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -79.22 -53.75 6.65 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.633 1.173 . . . . 0.0 109.513 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.58 -179.09 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.71 149.37 32.77 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.35 160.36 26.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.964 2.105 . . . . 0.0 108.683 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.0 t -84.85 107.27 16.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 115.519 -2.182 . . . . 0.0 105.963 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -52.68 -38.82 61.21 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 121.236 1.835 . . . . 0.0 109.378 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.12 -49.15 9.94 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 124.506 1.05 . . . . 0.0 110.674 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -109.33 -5.44 15.85 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m 57.6 47.7 15.5 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.548 1.539 . . . . 0.0 110.95 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -141.2 154.57 45.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.094 1.758 . . . . 0.0 108.292 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.08 161.56 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.801 1.641 . . . . 0.0 110.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.48 ' HA ' ' HE2' ' A' ' 38' ' ' HIS . 23.0 ptp -118.73 -37.33 3.28 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p 55.72 -65.54 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.644 2.377 . . . . 0.0 113.849 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.7 -161.88 2.4 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.776 2.131 . . . . 0.0 112.814 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.43 167.94 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.702 2.268 . . . . 0.0 112.415 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 33.3 p90 -138.07 159.91 40.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.739 1.615 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 tpp -107.29 141.84 38.0 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.75 129.64 59.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.05 112.69 8.88 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.12 14.71 40.67 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 116.89 -2.061 . . . . 0.0 115.848 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 105.44 -15.92 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 1 C-N-CA 132.155 4.182 . . . . 0.0 110.039 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -76.34 161.95 28.3 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.577 1.151 . . . . 0.0 108.955 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 40.4 ttmt -126.21 123.66 38.69 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.328 1.051 . . . . 0.0 110.237 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -135.01 161.2 35.97 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.059 0.943 . . . . 0.0 111.924 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 25' ' ' MET . 42.4 m80 -72.48 140.83 82.28 Favored Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 116.815 -1.954 . . . . 0.0 107.23 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.45 -43.82 31.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.286 2.657 . . . . 0.0 110.014 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.58 0.36 0.5 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.589 1.956 . . . . 0.0 113.641 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -132.42 -3.63 3.4 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.57 1.548 . . . . 0.0 111.398 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.38 91.08 6.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 102.437 -3.171 . . . . 0.0 102.437 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.58 155.14 49.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.567 0.747 . . . . 0.0 112.414 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 t -61.2 129.22 40.23 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.7 ttm -55.64 -47.52 76.49 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -69.89 -42.81 72.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -7.66 17.43 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 117.5 2.407 . . . . 0.0 117.5 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 62.18 5.77 1.61 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 p -65.44 138.64 22.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 120.415 1.462 . . . . 0.0 109.614 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.63 128.39 37.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -87.84 136.36 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -111.82 168.5 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.851 1.26 . . . . 0.0 108.902 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.09 -20.62 64.22 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.69 57.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 126.504 2.002 . . . . 0.0 112.823 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -87.42 -162.2 0.78 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.43 135.11 14.46 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -120.2 -178.58 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.829 1.252 . . . . 0.0 111.733 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.35 132.01 22.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.004 1.722 . . . . 0.0 106.787 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.95 117.43 32.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.097 1.359 . . . . 0.0 109.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.03 158.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -47.39 -56.59 6.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.25 1.42 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -77.68 147.22 35.59 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.43 95.15 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.07 2.148 . . . . 0.0 111.379 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -164.01 162.82 23.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.616 2.766 . . . . 0.0 106.284 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.82 128.82 23.56 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.821 1.248 . . . . 0.0 109.201 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -131.92 165.71 23.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.665 1.221 . . . . 0.0 110.495 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.85 145.3 24.49 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.76 -38.8 85.1 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -54.99 40.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.016 1.408 . . . . 0.0 111.567 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 90.4 m -74.93 -28.44 60.6 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.281 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -68.19 -27.86 66.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.187 1.358 . . . . 0.0 109.085 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.02 -33.87 58.39 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.812 0.845 . . . . 0.0 110.813 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.15 -36.03 82.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.572 1.149 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.1 t . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 125.427 1.491 . . . . 0.0 110.307 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 CA-C-O 121.775 0.653 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.75 138.27 54.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -129.19 153.89 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.845 -0.534 . . . . 0.0 110.9 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.24 110.38 9.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 102.995 -2.965 . . . . 0.0 102.995 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -47.97 -42.47 27.81 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 124.528 1.142 . . . . 0.0 109.212 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -54.95 2.31 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.488 1.994 . . . . 0.0 112.17 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.372 0.7 OUTLIER -116.97 0.74 12.5 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.753 1.276 . . . . 0.0 114.207 178.44 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.28 -2.58 2.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.655 1.982 . . . . 0.0 114.035 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -89.97 151.09 21.86 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.426 -0.796 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.99 169.1 5.62 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 129.664 3.186 . . . . 0.0 110.455 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.93 154.65 49.04 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.398 1.479 . . . . 0.0 110.501 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -129.89 -8.59 4.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.387 1.075 . . . . 0.0 110.04 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.54 -163.01 18.62 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.832 2.158 . . . . 0.0 112.981 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -73.62 169.51 22.18 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 124.162 3.242 . . . . 0.0 111.268 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -143.51 173.7 11.41 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.209 1.003 . . . . 0.0 111.647 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.7 mtp -136.26 163.97 29.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.156 1.782 . . . . 0.0 107.054 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.23 129.48 67.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.387 0.675 . . . . 0.0 110.341 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.36 147.53 27.02 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.243 1.417 . . . . 0.0 108.764 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.46 54.52 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.249 -1.306 . . . . 0.0 112.64 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.32 11.0 pt-20 57.84 21.46 7.57 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.892 1.677 . . . . 0.0 112.275 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -111.18 -178.3 3.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.762 2.025 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 124.66 41.88 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.844 1.657 . . . . 0.0 107.748 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -138.8 169.97 16.83 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.072 0.949 . . . . 0.0 112.509 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -91.01 150.57 42.04 Favored Pre-proline 0 N--CA 1.47 0.542 0 CA-C-O 117.856 -1.069 . . . . 0.0 108.717 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.69 -38.63 48.63 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.573 2.182 . . . . 0.0 109.426 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -72.08 9.32 0.99 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.894 1.677 . . . . 0.0 112.36 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.07 15.54 2.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.606 1.162 . . . . 0.0 113.659 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -111.62 85.11 2.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.18 13.04 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.121 -0.987 . . . . 0.0 111.758 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.0 t -85.46 124.37 31.97 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 116.702 -1.618 . . . . 0.0 106.952 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.3 tpp -57.92 -54.23 49.22 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.146 1.794 . . . . 0.0 109.206 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.65 -16.51 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 130.113 3.365 . . . . 0.0 115.896 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -140.44 -11.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 113.604 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 65.59 1.94 1.89 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.82 2.848 . . . . 0.0 114.75 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 4.1 p -66.37 144.21 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 110.226 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -78.89 133.51 29.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.88 156.86 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -113.2 166.48 11.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.362 1.065 . . . . 0.0 109.377 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -67.26 -12.15 59.35 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.1 12.59 19.72 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.169 1.366 . . . . 0.0 111.257 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.65 165.1 11.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.315 1.058 . . . . 0.0 110.673 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.93 122.59 26.32 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 125.184 1.394 . . . . 0.0 112.21 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -142.87 166.49 24.5 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.501 1.121 . . . . 0.0 110.587 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.41 116.41 6.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.4 142.71 27.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.72 160.14 41.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 127.339 2.256 . . . . 0.0 107.455 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -51.85 171.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.031 0.933 . . . . 0.0 110.282 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 56.15 29.39 14.6 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.199 -0.938 . . . . 0.0 108.483 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 46.64 19.07 0.07 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.581 3.152 . . . . 0.0 114.226 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 125.1 25.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 tp -108.68 125.84 52.33 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.281 1.833 . . . . 0.0 110.353 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -122.92 166.82 14.42 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.462 1.105 . . . . 0.0 109.689 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.38 148.72 22.11 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.28 -41.97 24.48 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 118.698 0.681 . . . . 0.0 113.693 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.02 -59.78 2.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 122.908 1.337 . . . . 0.0 112.444 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.306 63.8 m -65.02 -13.52 58.1 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 126.548 1.939 . . . . 0.0 111.735 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -87.48 -49.81 6.96 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -52.3 -36.84 54.11 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.658 1.183 . . . . 0.0 111.263 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -55.96 -33.49 64.83 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.469 1.908 . . . . 0.0 111.826 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 124.85 1.26 . . . . 0.0 108.625 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.831 0 N-CA-C 114.315 0.486 . . . . 0.0 114.315 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -121.25 138.5 54.2 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.941 1.696 . . . . 0.0 110.239 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.18 148.89 25.22 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.21 -0.931 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 4.5 t -70.82 110.29 5.5 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -51.52 -35.14 39.23 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.499 1.5 . . . . 0.0 110.922 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.66 -33.24 48.18 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.291 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -131.4 -5.02 3.78 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 m 62.57 25.78 15.33 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.171 1.351 . . . . 0.0 112.991 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 mt -111.81 146.74 37.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.899 1.28 . . . . 0.0 108.25 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.7 159.99 32.48 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.136 1.374 . . . . 0.0 112.036 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -123.32 146.52 47.85 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.611 1.164 . . . . 0.0 110.982 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.26 62.28 1.66 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 127.335 2.254 . . . . 0.0 106.029 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.7 170.21 26.09 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.359 0.98 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.27 169.46 15.31 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 124.722 3.615 . . . . 0.0 113.125 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.98 173.05 12.22 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.944 1.698 . . . . 0.0 110.111 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -94.56 142.32 27.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.877 1.671 . . . . 0.0 107.419 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.5 t -103.77 126.93 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 120.477 1.49 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.17 170.13 5.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.203 1.401 . . . . 0.0 110.523 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.44 32.57 30.83 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.041 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 53.54 12.6 0.39 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.586 2.355 . . . . 0.0 115.563 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.87 -148.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.801 1.182 . . . . 0.0 110.29 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -143.31 132.04 22.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.025 1.73 . . . . 0.0 106.967 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -132.16 150.24 52.2 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 123.966 0.906 . . . . 0.0 109.477 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 18' ' ' CYS . 26.4 m170 -66.71 150.52 97.49 Favored Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 116.705 -1.998 . . . . 0.0 109.597 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.23 -40.27 83.85 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.907 3.071 . . . . 0.0 112.326 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.24 -4.19 46.54 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.031 -1.043 . . . . 0.0 113.454 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.11 11.15 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.722 1.209 . . . . 0.0 112.96 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -105.81 87.33 2.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.85 168.09 24.72 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.7 t -66.73 123.77 21.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -35.65 63.98 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -11.42 55.36 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -136.05 -10.0 2.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.886 1.675 . . . . 0.0 114.792 -178.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.266 0.5 OUTLIER 62.88 3.48 1.22 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.796 2.038 . . . . 0.0 115.287 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.64 134.31 30.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.25 142.92 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -103.55 106.86 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.98 159.46 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.02 0.528 . . . . 0.0 111.194 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.59 70.54 4.96 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.502 1.144 . . . . 0.0 107.948 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 -31.62 0.07 OUTLIER Glycine 0 CA--C 1.527 0.827 0 C-N-CA 128.136 2.779 . . . . 0.0 109.996 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.56 137.76 41.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.088 0.944 . . . . 0.0 108.87 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.46 139.63 53.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.794 1.637 . . . . 0.0 111.201 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.99 -177.31 4.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.884 1.673 . . . . 0.0 109.521 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.43 146.4 29.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 127.708 2.403 . . . . 0.0 105.954 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.59 121.39 42.45 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.95 158.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.568 1.147 . . . . 0.0 108.002 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -50.16 -35.1 24.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.931 1.292 . . . . 0.0 113.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.77 150.74 20.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.719 0.808 . . . . 0.0 109.713 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.1 68.53 0.12 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.862 1.665 . . . . 0.0 113.824 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -153.14 141.02 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.65 146.59 33.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.04 0.936 . . . . 0.0 111.314 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -130.6 162.91 28.29 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.097 1.359 . . . . 0.0 108.392 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.07 154.27 18.21 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.5 -47.27 44.96 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.65 0.659 . . . . 0.0 112.983 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.23 -52.93 60.2 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.96 1.38 . . . . 0.0 110.34 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.52 -33.89 73.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.631 1.173 . . . . 0.0 112.44 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -68.89 -18.17 64.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.398 1.454 . . . . 0.0 110.434 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -89.13 -30.47 18.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.79 -26.86 66.31 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.914 -1.116 . . . . 0.0 111.245 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.468 0.439 0 O-C-N 121.151 -0.968 . . . . 0.0 112.011 179.556 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.526 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -137.18 153.24 50.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.369 1.084 . . . . 0.0 111.523 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -169.34 167.73 9.96 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.868 2.467 . . . . 0.0 106.201 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.8 96.18 0.2 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 107.201 -2.36 . . . . 0.0 107.201 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -135.4 143.96 46.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 -168.63 2.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.852 0.861 . . . . 0.0 111.721 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.87 91.73 2.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -153.87 105.66 2.78 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -64.69 136.17 56.67 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 122.474 1.131 . . . . 0.0 111.473 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -87.17 -49.48 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 127.019 2.127 . . . . 0.0 106.577 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -76.86 -175.18 3.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.79 1.636 . . . . 0.0 108.161 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.48 79.79 0.1 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.291 0.948 . . . . 0.0 111.452 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -138.22 85.85 2.12 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -138.32 -50.11 0.56 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.968 2.507 . . . . 0.0 108.373 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.69 -159.11 20.5 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.718 1.628 . . . . 0.0 109.167 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.47 139.31 54.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.527 1.156 . . . . 0.0 108.5 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.13 144.07 51.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.825 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 8.6 t -65.17 121.08 13.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -45.51 -47.21 14.21 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.023 0.829 . . . . 0.0 110.776 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -30.84 76.97 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 117.942 -1.477 . . . . 0.0 116.024 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 16.4 p -118.54 -9.59 10.26 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.863 2.332 . . . . 0.0 115.228 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 63.94 2.76 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.624 1.97 . . . . 0.0 111.586 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.69 142.12 31.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 120.452 1.478 . . . . 0.0 108.013 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.97 140.27 58.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.393 2.277 . . . . 0.0 109.249 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -115.72 168.11 10.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.862 0.865 . . . . 0.0 109.01 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -143.87 -37.36 0.33 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.87 -153.22 12.68 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.138 1.828 . . . . 0.0 111.425 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.21 159.63 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.035 1.824 . . . . 0.0 109.936 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -149.78 172.94 14.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.379 1.472 . . . . 0.0 108.687 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.3 mtp -122.53 146.52 47.33 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.54 128.68 66.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.95 157.91 10.19 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.574 2.349 . . . . 0.0 107.923 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.31 31.94 35.94 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 117.764 -1.575 . . . . 0.0 113.506 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.316 13.5 pt-20 55.31 22.49 4.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.63 1.972 . . . . 0.0 114.579 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 -173.88 2.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.24 1.416 . . . . 0.0 108.037 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -140.83 139.85 34.57 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.204 1.401 . . . . 0.0 107.426 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -146.23 155.55 42.76 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -65.45 154.82 87.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -66.03 -5.3 11.9 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.933 3.088 . . . . 0.0 113.365 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.293 73.8 mt-10 -108.73 -2.3 18.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.735 2.814 . . . . 0.0 113.159 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.272 58.6 m -123.08 15.76 9.92 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -103.73 92.87 4.62 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 100.576 -3.861 . . . . 0.0 100.576 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.67 161.7 35.78 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.1 t -63.79 124.34 21.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.3 -59.76 3.41 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.747 0.654 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -50.02 72.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.89 -13.44 27.18 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 -176.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 69.48 8.24 6.66 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.89 136.74 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -79.87 131.67 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.32 140.52 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -111.96 169.62 8.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.664 1.585 . . . . 0.0 108.848 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.27 77.26 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.203 1.801 . . . . 0.0 112.68 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.66 -27.8 1.32 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 118.544 -1.142 . . . . 0.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.09 130.7 42.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.502 1.651 . . . . 0.0 109.388 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 103.42 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.639 2.376 . . . . 0.0 115.153 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -94.43 169.97 9.82 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.55 30.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.3 mt -114.72 156.12 25.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.809 1.244 . . . . 0.0 110.757 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.31 158.53 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.85 1.66 . . . . 0.0 108.56 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -63.28 -14.33 48.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.513 1.525 . . . . 0.0 111.192 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -116.16 174.3 6.12 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.317 2.247 . . . . 0.0 107.432 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.2 84.43 0.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.878 0.871 . . . . 0.0 109.104 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 154.35 27.69 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.344 -1.473 . . . . 0.0 107.525 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 tp -141.73 135.22 29.57 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.183 0.993 . . . . 0.0 108.338 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -131.47 173.93 10.59 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.128 0.971 . . . . 0.0 109.729 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.54 150.58 20.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.15 -38.15 88.72 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.505 1.502 . . . . 0.0 112.756 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -61.25 -42.46 98.67 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.241 -1.152 . . . . 0.0 113.271 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.53 -30.02 15.22 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.266 1.826 . . . . 0.0 114.967 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -64.45 -14.11 55.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.651 1.569 . . . . 0.0 108.932 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -50.34 -34.43 23.83 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 129.141 2.977 . . . . 0.0 109.59 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.44 -32.7 64.52 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.762 0.825 . . . . 0.0 112.392 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.54 -19.43 15.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 125.226 1.411 . . . . 0.0 110.969 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.94 -37.98 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.707 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.5 m 55.16 13.67 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -26.78 -73.18 0.03 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.012 2.244 . . . . 0.0 117.7 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -82.26 14.81 2.15 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.845 3.696 . . . . 0.0 114.594 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 t -104.64 176.85 5.02 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.203 1.401 . . . . 0.0 109.402 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 p -83.98 -78.62 0.23 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.073 0.949 . . . . 0.0 110.502 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -178.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 p 40.21 78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.643 1.977 . . . . 0.0 113.988 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -156.61 168.21 28.09 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.477 0.711 . . . . 0.0 109.436 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.54 160.04 22.55 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 126.315 1.912 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -154.81 160.95 41.61 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.027 0.913 . . . . 0.0 110.678 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -82.77 -29.2 29.81 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.837 2.055 . . . . 0.0 108.445 177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.59 -172.36 42.62 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 125.246 1.403 . . . . 0.0 111.39 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -65.59 165.41 12.41 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 124.675 1.19 . . . . 0.0 108.776 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.46 160.7 15.76 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.375 0.607 . . . . 0.0 111.76 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.82 50.57 0.74 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 123.109 1.433 . . . . 0.0 113.275 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -120.49 -170.32 1.97 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.886 -1.506 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.19 -19.88 0.13 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.486 1.041 . . . . 0.0 111.679 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -81.44 98.01 8.04 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -77.61 76.94 4.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.707 0.803 . . . . 0.0 110.165 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.97 -177.44 14.94 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 124.951 1.262 . . . . 0.0 111.182 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -85.9 140.95 29.93 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.506 1.522 . . . . 0.0 109.47 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -129.1 155.8 44.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 112.157 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.468 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 14.4 t -76.33 102.91 6.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -49.19 -41.45 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.941 1.246 . . . . 0.0 109.942 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.05 -31.65 40.81 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 118.305 -1.275 . . . . 0.0 113.983 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 p -122.81 -9.33 8.35 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.428 1.614 . . . . 0.0 114.119 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 67.14 32.69 6.0 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.163 0.985 . . . . 0.0 111.37 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -127.03 143.65 51.23 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.552 -1.342 . . . . 0.0 110.703 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 tp -66.81 139.09 57.76 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 129.37 3.068 . . . . 0.0 110.754 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.19 13.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.976 0.807 . . . . 0.0 108.999 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -134.91 8.93 3.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.841 1.656 . . . . 0.0 110.252 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.65 -168.65 11.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.757 2.598 . . . . 0.0 108.642 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.69 163.19 31.3 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.949 1.766 . . . . 0.0 111.433 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -132.76 173.85 10.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.88 2.072 . . . . 0.0 109.241 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.52 134.57 54.69 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -111.96 128.94 68.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.79 135.17 15.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 123.567 0.747 . . . . 0.0 109.006 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.12 24.18 34.92 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.269 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 82.21 -0.96 1.44 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.601 3.16 . . . . 0.0 112.14 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.79 173.7 7.86 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.329 1.452 . . . . 0.0 109.733 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -133.78 122.9 23.96 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.549 0.739 . . . . 0.0 110.031 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -140.8 149.95 42.7 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.221 0.609 . . . . 0.0 111.534 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 28.3 m170 -70.65 147.85 94.76 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.25 -36.08 92.63 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 CA-C-N 121.658 1.628 . . . . 0.0 112.447 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.19 -13.03 45.97 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.452 -1.405 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.39 -8.38 21.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 112.172 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -96.77 86.6 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.49 160.16 39.91 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.15 0.98 . . . . 0.0 111.348 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -68.12 123.57 21.04 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 104.033 -2.581 . . . . 0.0 104.033 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 35.7 ttp -54.46 -31.08 54.89 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.02 1.282 . . . . 0.0 113.835 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -86.26 -59.31 2.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 122.521 0.329 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.1 p -81.63 -10.86 59.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 116.787 2.143 . . . . 0.0 116.787 -176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.38 -1.62 1.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.038 2.135 . . . . 0.0 115.008 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.52 139.62 21.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.25 141.49 16.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mm -95.76 163.67 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' H ' ' HB3' ' A' ' 55' ' ' ASP . 12.9 mt-10 -132.63 165.66 23.94 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.746 1.218 . . . . 0.0 109.845 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.63 -13.35 62.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -114.98 17.26 17.59 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.255 2.36 . . . . 0.0 111.112 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 19.2 t0 -113.87 157.16 22.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.569 1.685 . . . . 0.0 109.408 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 127.39 33.44 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.642 0.777 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -137.41 156.96 47.57 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.461 1.104 . . . . 0.0 108.563 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.12 128.37 20.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.72 156.41 17.06 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.18 157.99 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -55.98 -34.19 65.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.528 1.131 . . . . 0.0 109.962 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -88.57 178.86 6.4 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.425 1.49 . . . . 0.0 109.725 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 81.44 2.06 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.7 m -158.49 141.01 14.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.155 1.382 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.11 119.06 23.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.912 2.085 . . . . 0.0 105.899 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -112.24 167.71 10.2 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.002 1.321 . . . . 0.0 108.848 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.38 155.13 17.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.92 -42.71 96.89 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 119.406 1.003 . . . . 0.0 110.668 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.49 -23.44 64.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.721 0.808 . . . . 0.0 111.688 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.15 -49.7 5.86 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 126.571 1.949 . . . . 0.0 111.352 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -58.76 -22.1 57.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.158 1.345 . . . . 0.0 110.123 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.26 -18.6 61.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.782 2.033 . . . . 0.0 110.667 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.9 -15.69 31.57 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.302 2.241 . . . . 0.0 111.681 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -28.34 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 121.019 -1.051 . . . . 0.0 110.914 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -57.89 -21.69 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.82 2.048 . . . . 0.0 112.832 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.7 t -62.8 -29.49 70.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 0.0 111.285 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.56 62.33 0.19 Allowed Glycine 0 C--N 1.339 0.747 0 CA-C-N 118.954 0.797 . . . . 0.0 113.128 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.78 178.91 4.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 124.241 3.294 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -121.38 -165.67 1.27 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.887 1.275 . . . . 0.0 109.631 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 t -138.55 -170.99 2.95 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 107.725 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.24 0 N-CA-C 104.888 -3.285 . . . . 0.0 104.888 178.698 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.12 -174.81 5.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.483 1.642 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -125.1 -177.72 3.95 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.068 1.747 . . . . 0.0 110.261 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.5 149.89 7.89 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 127.569 2.509 . . . . 0.0 108.269 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -163.29 163.22 25.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.067 1.347 . . . . 0.0 108.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -140.2 -177.58 5.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.375 2.27 . . . . 0.0 108.726 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.04 25.48 8.38 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.97 1.748 . . . . 0.0 112.28 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -88.84 78.19 7.64 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -79.85 87.2 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.771 1.229 . . . . 0.0 111.159 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -156.42 164.24 38.5 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 119.088 0.858 . . . . 0.0 110.764 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -84.98 102.41 13.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.363 1.865 . . . . 0.0 107.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.35 83.64 0.18 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -128.1 -1.87 5.79 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.139 1.376 . . . . 0.0 113.722 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.03 13.42 9.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.74 1.216 . . . . 0.0 111.412 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.53 162.26 19.82 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -83.41 160.91 21.49 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 122.773 1.273 . . . . 0.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -128.44 138.64 52.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.614 1.566 . . . . 0.0 109.777 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.41 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t -76.82 106.33 8.42 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -55.42 -45.83 76.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.78 -65.59 1.34 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.482 1.515 . . . . 0.0 110.779 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 31.5 p -82.44 -13.04 57.43 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 t 69.36 39.17 1.69 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.307 1.443 . . . . 0.0 109.03 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 mt -138.25 146.16 42.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.87 1.268 . . . . 0.0 110.592 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.32 135.12 57.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.462 3.105 . . . . 0.0 112.827 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptp -91.6 155.75 18.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.157 0.889 . . . . 0.0 108.704 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.53 -56.54 1.01 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.781 0.832 . . . . 0.0 111.487 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.78 -153.78 8.56 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.803 1.192 . . . . 0.0 110.85 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -68.09 169.48 16.5 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.206 1.938 . . . . 0.0 110.17 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 43.4 p90 -140.71 173.73 11.21 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 126.709 2.004 . . . . 0.0 109.104 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.94 155.91 43.49 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -130.36 130.89 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 125.54 1.536 . . . . 0.0 111.622 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.36 143.92 22.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 128.45 2.7 . . . . 0.0 105.49 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.0 13.04 6.07 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 117.667 -1.63 . . . . 0.0 115.299 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 84.04 6.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.751 2.82 . . . . 0.0 113.272 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.59 -175.72 4.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.05 1.34 . . . . 0.0 110.552 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -137.56 134.61 35.83 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 125.844 1.658 . . . . 0.0 106.733 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -148.55 158.15 43.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.619 1.1 . . . . 0.0 110.85 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -67.89 150.69 97.68 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 115.874 -2.33 . . . . 0.0 106.281 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 44.3 Cg_endo -65.77 -40.22 17.86 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.863 2.375 . . . . 0.0 113.493 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -3.44 9.21 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.534 1.061 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.03 -2.63 27.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.906 0.882 . . . . 0.0 112.249 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.3 87.35 7.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 101.639 -3.467 . . . . 0.0 101.639 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.2 158.81 44.29 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.468 1.107 . . . . 0.0 111.786 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.6 t -74.15 123.7 24.95 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -60.69 -40.24 91.47 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.2 2.273 . . . . 0.0 112.893 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.18 89.61 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 126.794 2.038 . . . . 0.0 115.779 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 1.4 p -112.25 -9.62 13.89 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 63.24 1.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 128.452 2.701 . . . . 0.0 116.001 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.5 140.3 18.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 119.841 1.2 . . . . 0.0 109.483 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.16 144.93 12.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 105.296 -2.112 . . . . 0.0 105.296 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -106.35 139.48 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.66 169.43 8.64 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.18 -24.49 54.8 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.367 1.467 . . . . 0.0 113.022 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.31 -14.37 38.85 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.251 1.882 . . . . 0.0 114.95 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.86 168.18 15.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.92 2.36 . . . . 0.0 112.516 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.68 99.0 11.75 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.403 1.481 . . . . 0.0 113.549 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -87.91 174.15 8.5 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.524 0.73 . . . . 0.0 109.23 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.51 124.69 6.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -110.09 156.6 20.34 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.989 1.316 . . . . 0.0 107.547 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.71 159.74 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 107.086 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -45.03 -48.33 11.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.077 1.751 . . . . 0.0 110.646 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -79.85 158.94 26.63 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.192 1.397 . . . . 0.0 109.101 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.66 76.1 0.19 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.608 1.163 . . . . 0.0 112.17 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -149.86 142.64 24.68 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.793 -1.192 . . . . 0.0 108.067 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.89 139.1 54.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.912 1.285 . . . . 0.0 111.592 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -137.0 171.37 14.61 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.119 1.768 . . . . 0.0 111.462 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -94.56 158.05 15.71 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.3 -44.09 93.51 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.317 0.962 . . . . 0.0 112.847 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -61.01 -40.14 92.43 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.96 1.38 . . . . 0.0 112.073 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.42 -46.06 70.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 109.545 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -60.29 -37.87 81.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.823 0.738 . . . . 0.0 110.807 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -57.77 -24.04 55.22 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.231 1.412 . . . . 0.0 112.105 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -100.11 -25.11 14.4 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.703 0.801 . . . . 0.0 110.972 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.93 -34.98 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 O-C-N 121.218 -0.927 . . . . 0.0 110.323 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.83 -14.96 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 118.399 0.545 . . . . 0.0 111.772 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.4 t -77.4 91.99 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.04 83.13 0.34 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -64.95 107.92 1.01 Allowed 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.598 2.199 . . . . 0.0 107.41 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.74 162.19 13.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.337 1.055 . . . . 0.0 110.344 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -163.61 -56.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.664 -0.647 . . . . 0.0 109.705 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.913 0 N-CA-C 105.716 -2.954 . . . . 0.0 105.716 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -139.28 168.3 20.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.28 1.032 . . . . 0.0 108.237 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -160.54 179.1 8.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.323 1.449 . . . . 0.0 107.359 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.4 168.3 41.16 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -164.86 166.27 19.77 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.771 1.628 . . . . 0.0 108.014 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -164.67 169.95 16.26 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.296 1.039 . . . . 0.0 108.847 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.72 167.08 26.03 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 127.837 2.637 . . . . 0.0 107.439 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.77 164.81 36.67 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.046 0.923 . . . . 0.0 110.119 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.74 96.84 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 125.461 1.505 . . . . 0.0 107.807 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.82 -55.67 24.27 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -77.44 168.33 20.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.11 1.764 . . . . 0.0 108.485 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.28 -148.45 6.77 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -48.73 -39.71 25.84 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 126.379 1.871 . . . . 0.0 112.496 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 50.87 24.32 1.74 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.274 1.43 . . . . 0.0 112.763 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.69 -159.65 30.78 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-O 122.027 0.793 . . . . 0.0 113.466 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -85.15 137.36 33.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.746 1.618 . . . . 0.0 111.548 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.68 154.98 45.75 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.209 2.204 . . . . 0.0 107.069 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' C ' ' H ' ' A' ' 20' ' ' GLY . 44.0 t -65.6 113.36 4.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.5 21.95 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.85 2.46 . . . . 0.0 114.806 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -127.93 -47.51 0.18 Allowed Glycine 0 CA--C 1.526 0.726 0 C-N-CA 127.331 2.396 . . . . 0.0 108.08 178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.8 p -104.7 -6.32 20.5 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m 62.54 30.98 17.15 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.033 1.288 . . . . 0.0 112.843 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -121.89 144.79 48.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.031 1.333 . . . . 0.0 107.539 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 tp -54.53 157.99 2.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.498 2.719 . . . . 0.0 112.539 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 ptp -112.55 151.4 30.06 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 126.075 1.75 . . . . 0.0 108.55 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.3 p -127.36 -70.68 0.7 Allowed 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.75 -169.74 15.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.257 1.408 . . . . 0.0 110.13 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.2 165.64 16.63 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.117 1.878 . . . . 0.0 112.107 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -128.94 156.63 43.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.262 1.425 . . . . 0.0 108.7 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.51 123.85 36.12 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -103.57 129.63 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.382 1.473 . . . . 0.0 107.148 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.78 134.35 15.44 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.75 32.08 39.5 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.492 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 76.52 -1.83 2.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.996 2.118 . . . . 0.0 113.126 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -85.23 -176.51 6.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.329 1.422 . . . . 0.0 111.642 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -145.76 132.7 20.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.422 1.489 . . . . 0.0 108.446 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -150.6 156.72 41.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.659 1.583 . . . . 0.0 108.646 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -71.36 148.17 93.35 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 116.918 -1.913 . . . . 0.0 106.074 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.83 -46.7 27.53 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.362 2.708 . . . . 0.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.61 -3.51 1.08 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.343 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.1 m -129.9 20.36 5.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.532 1.533 . . . . 0.0 112.77 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.91 88.95 3.03 Favored 'General case' 0 N--CA 1.448 -0.57 1 N-CA-C 98.508 -4.627 . . . . 0.0 98.508 176.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.32 159.59 42.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.87 0.868 . . . . 0.0 112.379 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.476 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.5 t -63.7 124.71 22.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.492 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 47.8 tpp -51.46 -46.18 62.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.676 1.125 . . . . 0.0 110.609 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -60.75 -20.42 61.27 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 17.8 p -142.43 -8.37 0.87 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? 62.16 9.95 3.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.346 1.858 . . . . 0.0 114.122 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.0 138.55 20.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -58.5 151.03 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.23 0.956 . . . . 0.0 110.652 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.09 104.85 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 103.938 -2.616 . . . . 0.0 103.938 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -80.37 177.27 9.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.868 0.842 . . . . 0.0 110.577 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.24 3.81 0.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.243 1.817 . . . . 0.0 114.254 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.07 -0.98 2.38 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.478 1.513 . . . . 0.0 113.921 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 161.62 30.64 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.257 1.528 . . . . 0.0 113.671 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.84 109.71 15.66 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -135.7 171.09 14.96 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.38 145.0 27.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.17 1.788 . . . . 0.0 109.755 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 102.91 9.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.96 136.08 25.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 124.328 1.051 . . . . 0.0 108.412 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 43.61 33.36 0.66 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.735 2.414 . . . . 0.0 113.341 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 p80 38.99 39.91 0.41 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.859 2.064 . . . . 0.0 112.626 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.61 -16.55 0.32 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -133.58 144.07 49.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.924 1.238 . . . . 0.0 110.138 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -108.99 137.76 46.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.828 1.251 . . . . 0.0 111.561 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -136.02 161.38 35.84 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.762 1.225 . . . . 0.0 112.14 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.97 156.72 16.46 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.84 -44.61 92.08 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.16 0.891 . . . . 0.0 112.195 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.79 -36.85 75.12 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.64 1.22 . . . . 0.0 111.994 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.46 -49.21 15.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.411 1.484 . . . . 0.0 110.378 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -56.87 -35.43 68.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.594 0.633 . . . . 0.0 110.717 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -60.15 -32.89 71.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.867 1.667 . . . . 0.0 112.057 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.38 -32.05 73.5 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.024 1.33 . . . . 0.0 112.193 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.5 t -78.72 -51.79 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.922 0.889 . . . . 0.0 109.029 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.53 -33.51 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 121.581 -0.699 . . . . 0.0 110.929 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 m -89.49 49.06 1.68 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.119 -0.988 . . . . 0.0 108.633 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.01 79.58 0.04 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -63.14 -8.11 13.46 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.316 2.677 . . . . 0.0 114.414 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -135.44 103.37 5.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 m -78.12 -171.47 2.36 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.799 0.84 . . . . 0.0 110.325 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 179.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -68.13 156.9 36.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.254 1.027 . . . . 0.0 111.825 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -82.36 132.4 35.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 109.473 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.6 139.73 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.488 1.042 . . . . 0.0 111.85 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -71.5 34.56 0.05 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 113.969 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m 59.75 14.36 4.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.645 . . . . 0.0 113.609 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.49 176.44 19.43 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 128.379 2.895 . . . . 0.0 106.933 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.31 -32.15 18.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 176.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.0 168.47 10.22 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.49 2.716 . . . . 0.0 106.925 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.14 -20.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.995 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -80.39 11.54 3.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.286 2.234 . . . . 0.0 114.365 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.53 -8.11 66.14 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 120.759 3.064 . . . . 0.0 120.759 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -154.31 126.88 8.04 Favored 'General case' 0 N--CA 1.479 1.02 1 CA-C-N 124.49 4.145 . . . . 0.0 114.993 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -95.56 81.28 3.52 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 126.237 1.815 . . . . 0.0 107.899 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.47 -178.97 18.23 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.517 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -95.94 108.89 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.516 1.527 . . . . 0.0 109.424 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.03 150.75 39.43 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.431 1.093 . . . . 0.0 108.626 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 t -75.47 110.29 9.72 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -46.68 -45.72 19.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.386 0.994 . . . . 0.0 112.197 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.23 33.45 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.136 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -101.22 -16.1 17.11 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 75.88 8.21 3.61 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.685 1.594 . . . . 0.0 110.856 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -106.06 150.63 25.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.595 1.558 . . . . 0.0 111.517 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.62 168.73 12.46 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 129.325 3.05 . . . . 0.0 113.103 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.82 164.39 30.22 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.561 1.944 . . . . 0.0 107.89 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.6 p -125.66 -50.25 1.62 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.388 1.075 . . . . 0.0 108.537 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.2 -157.39 6.12 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 126.296 1.903 . . . . 0.0 111.63 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -68.81 169.11 18.4 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.546 2.164 . . . . 0.0 112.765 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.473 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 8.5 p90 -147.53 172.68 13.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.007 2.123 . . . . 0.0 108.536 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.449 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 48.2 tpp -118.29 147.19 43.7 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -133.79 138.5 50.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 125.949 1.699 . . . . 0.0 109.352 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.99 143.74 9.51 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.633 1.973 . . . . 0.0 105.805 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.44 25.39 34.11 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.578 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 75.68 6.22 3.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.298 2.239 . . . . 0.0 111.915 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.13 174.3 8.33 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.642 -1.286 . . . . 0.0 112.099 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -135.6 122.75 21.57 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.705 -1.247 . . . . 0.0 108.213 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.03 156.17 47.41 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -71.27 155.14 93.33 Favored Pre-proline 0 N--CA 1.471 0.586 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.908 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.88 -15.81 40.69 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.305 2.67 . . . . 0.0 112.549 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.92 8.86 44.56 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.602 1.161 . . . . 0.0 111.066 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.8 m -133.5 -18.66 2.18 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 30' ' ' MET . 69.0 t80 -73.78 99.87 3.28 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.18 21.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.481 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.7 t -65.67 123.56 20.04 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.74 -34.31 74.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.525 1.966 . . . . 0.0 113.222 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -73.91 -24.8 59.74 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -124.4 -11.37 7.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -177.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 66.57 4.24 3.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.047 2.139 . . . . 0.0 114.777 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG11 ' SG ' ' A' ' 47' ' ' CYS . 4.7 p -76.94 136.91 23.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 121.48 1.946 . . . . 0.0 107.487 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.89 147.54 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.623 1.202 . . . . 0.0 108.975 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.26 97.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 102.706 -3.072 . . . . 0.0 102.706 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.74 160.84 24.88 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.451 1.501 . . . . 0.0 111.324 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.36 106.17 2.41 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.48 -17.29 6.17 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.908 1.718 . . . . 0.0 112.091 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.67 -174.5 3.92 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.702 1.251 . . . . 0.0 108.238 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.9 111.62 14.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 119.924 -1.735 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.37 -172.43 4.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 108.846 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.89 109.55 5.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 103.093 -2.929 . . . . 0.0 103.093 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.96 108.72 21.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.07 157.48 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.898 1.679 . . . . 0.0 107.125 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.61 -33.23 71.22 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.107 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -79.09 150.27 31.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 59.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.688 0.795 . . . . 0.0 110.779 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.7 m -140.17 118.66 12.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 128.739 2.816 . . . . 0.0 103.484 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.75 152.53 24.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.924 0.89 . . . . 0.0 111.825 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.54 173.9 11.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.098 0.559 . . . . 0.0 111.59 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.44 147.7 22.72 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.35 74.94 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.297 0.953 . . . . 0.0 112.719 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -64.03 -32.14 73.58 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.994 1.397 . . . . 0.0 112.37 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.76 -40.68 20.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.098 0.959 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -66.38 -21.17 66.23 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.156 0.889 . . . . 0.0 109.296 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.45 -36.49 80.54 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 121.128 -0.983 . . . . 0.0 108.853 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.29 -33.22 63.17 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.441 0.696 . . . . 0.0 110.223 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.57 -48.17 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -73.14 -28.74 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.103 0.411 . . . . 0.0 110.561 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -87.19 51.6 2.28 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.95 -174.12 27.85 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.21 1.862 . . . . 0.0 109.737 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.98 -166.29 0.34 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.926 3.084 . . . . 0.0 109.703 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -67.58 175.66 2.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.454 -0.778 . . . . 0.0 110.685 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -64.25 164.47 11.01 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.34 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 107.496 -2.241 . . . . 0.0 107.496 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t 58.14 37.33 26.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.473 1.109 . . . . 0.0 110.568 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.74 166.12 11.5 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.91 -165.0 11.17 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -121.3 155.2 35.21 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 122.321 1.058 . . . . 0.0 111.152 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.71 175.83 10.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 128.563 2.745 . . . . 0.0 106.452 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.26 -169.97 43.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.4 144.68 27.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -128.73 110.66 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.689 0.796 . . . . 0.0 110.681 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -97.24 -32.04 12.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -69.18 176.92 2.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.289 1.436 . . . . 0.0 111.11 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.36 -173.69 41.33 Favored Glycine 0 CA--C 1.522 0.527 0 O-C-N 121.229 -0.92 . . . . 0.0 111.048 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -135.17 168.3 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.401 1.48 . . . . 0.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -78.48 -22.29 47.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.775 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 168.77 35.43 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 123.701 0.667 . . . . 0.0 111.978 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -113.72 149.73 34.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.051 0.929 . . . . 0.0 110.268 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -127.77 151.91 48.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.887 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 24.4 t -63.88 117.51 7.07 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.49 -25.58 26.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.858 1.208 . . . . 0.0 110.677 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.39 -25.37 63.59 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 117.271 -1.85 . . . . 0.0 113.907 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 p -131.24 0.25 4.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 35.9 p 61.74 4.36 1.06 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.78 1.632 . . . . 0.0 114.1 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -94.79 149.1 21.59 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.517 -1.364 . . . . 0.0 108.536 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.8 159.52 30.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 129.291 3.036 . . . . 0.0 114.843 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 149.6 52.49 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.597 2.359 . . . . 0.0 105.3 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -133.58 -18.1 2.21 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.91 -148.09 16.05 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -71.49 157.19 56.88 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 121.654 1.57 . . . . 0.0 111.206 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -150.16 153.97 37.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.284 2.234 . . . . 0.0 106.333 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 40.8 tpp -91.68 142.37 27.69 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.35 128.69 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -170.68 154.91 4.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.303 1.041 . . . . 0.0 108.459 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.79 30.04 35.18 Favored Glycine 0 C--O 1.222 -0.644 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.715 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.27 23.2 pt-20 53.9 20.78 2.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.295 1.838 . . . . 0.0 114.392 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -123.6 -174.11 2.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.472 1.509 . . . . 0.0 109.237 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -128.82 130.17 46.61 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.139 0.976 . . . . 0.0 108.439 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -139.7 151.12 45.62 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 121.067 -1.02 . . . . 0.0 110.736 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.408 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 15.6 m170 -64.66 144.44 98.77 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.7 -36.54 51.61 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 CA-C-N 120.032 1.047 . . . . 0.0 112.083 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.67 2.63 7.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.438 1.095 . . . . 0.0 113.443 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.5 3.96 11.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.821 1.249 . . . . 0.0 110.735 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -87.26 98.11 11.15 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.83 158.2 39.04 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 32.0 t -63.8 124.68 22.12 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 117.533 -1.222 . . . . 0.0 107.74 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.4 mtp -56.99 -44.71 82.99 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.387 0.994 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m -67.18 -17.28 64.77 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.9 p -136.16 -7.89 2.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 50.08 65.21 1.5 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.268 1.427 . . . . 0.0 111.794 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.47 126.7 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -66.84 124.15 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.39 148.01 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 104.743 -2.317 . . . . 0.0 104.743 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 54' ' ' GLY . 42.1 mt-10 -133.91 179.79 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.282 1.833 . . . . 0.0 108.157 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.44 43.97 0.25 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.987 1.315 . . . . 0.0 109.291 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 52' ' ' GLU . . . -168.41 13.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.658 0 CA-C-O 117.836 -1.536 . . . . 0.0 114.359 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -132.36 130.83 41.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 120.65 2.225 . . . . 0.0 105.754 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 140.68 58.86 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.576 0.751 . . . . 0.0 112.144 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -133.39 163.24 29.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.35 24.9 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 119.66 40.08 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -97.08 120.5 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 38.27 48.66 1.19 Allowed 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 128.182 2.593 . . . . 0.0 114.026 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.9 m170 44.82 44.97 8.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.684 1.194 . . . . 0.0 109.844 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.43 -38.66 0.2 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -123.49 143.41 50.19 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.273 1.852 . . . . 0.0 112.322 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.1 tp -108.41 118.32 36.45 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 125.64 1.576 . . . . 0.0 112.145 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.51 170.72 11.15 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.562 1.145 . . . . 0.0 109.425 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.12 158.29 15.85 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.89 -44.61 94.31 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -58.37 -44.81 89.02 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.454 1.127 . . . . 0.0 110.668 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.267 1.5 m -64.47 -48.52 74.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.08 1.352 . . . . 0.0 110.89 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.52 -28.79 70.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.004 0.82 . . . . 0.0 110.461 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.4 -30.97 48.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.91 1.284 . . . . 0.0 110.255 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.25 -39.53 22.9 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.059 1.343 . . . . 0.0 112.299 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -17.02 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.46 -18.77 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 119.068 0.849 . . . . 0.0 110.43 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.01 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.05 149.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 C-N-CA 128.996 3.189 . . . . 0.0 113.365 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -81.61 119.84 3.42 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 N-CA-C 106.051 -2.327 . . . . 0.0 106.051 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -4.78 8.68 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.2 m -65.49 142.62 58.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.834 0.854 . . . . 0.0 109.835 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.404 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 179.756 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.254 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -107.14 160.86 15.26 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.613 1.165 . . . . 0.0 108.22 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -160.02 148.63 17.22 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.29 150.64 20.52 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p -148.81 41.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.747 0.819 . . . . 0.0 109.892 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 p -56.25 128.38 35.44 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.053 0.541 . . . . 0.0 110.076 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.25 -156.07 9.06 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -142.02 162.6 35.08 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -66.04 106.11 1.53 Allowed 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -163.61 -49.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.345 1.858 . . . . 0.0 109.824 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -64.64 108.1 1.6 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.655 1.182 . . . . 0.0 112.787 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.55 -87.07 0.24 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 105.377 -3.089 . . . . 0.0 105.377 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 174.72 151.01 0.1 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 128.153 2.581 . . . . 0.0 106.906 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -120.81 -67.47 0.97 Allowed 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.03 -152.84 10.31 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.955 1.264 . . . . 0.0 112.318 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -78.45 150.73 32.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 127.637 2.375 . . . . 0.0 108.269 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.34 151.46 48.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.019 -1.05 . . . . 0.0 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 t -72.27 104.39 3.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -40.6 -58.76 1.52 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.81 2.044 . . . . 0.0 111.177 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.51 53.75 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 117.499 -1.723 . . . . 0.0 116.051 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.3 p -113.57 -12.88 12.82 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.708 2.254 . . . . 0.0 116.715 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 65.3 47.8 2.29 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.72 1.145 . . . . 0.0 110.495 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -136.13 148.55 48.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.482 1.513 . . . . 0.0 108.278 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.03 156.12 29.1 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.35 1.86 . . . . 0.0 110.6 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.539 ' HA ' ' HE2' ' A' ' 38' ' ' HIS . 14.5 ptp -119.3 143.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.95 1.3 . . . . 0.0 108.271 178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -116.29 -28.39 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.809 0.693 . . . . 0.0 109.313 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.61 177.2 21.2 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.236 1.398 . . . . 0.0 112.294 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.19 169.58 11.97 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 124.907 3.738 . . . . 0.0 113.229 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -149.92 173.22 14.04 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.914 1.286 . . . . 0.0 110.255 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 56.6 mtp -112.01 156.36 22.28 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.99 128.88 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 121.228 -0.92 . . . . 0.0 109.218 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.63 25.88 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.396 2.279 . . . . 0.0 107.307 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.64 33.99 35.02 Favored Glycine 0 C--O 1.221 -0.677 0 CA-C-O 117.368 -1.796 . . . . 0.0 114.443 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.288 2.1 pt-20 53.57 13.13 0.44 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.945 2.498 . . . . 0.0 116.616 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -122.56 168.32 12.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.442 1.474 . . . . 0.0 110.851 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -114.77 122.79 47.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.407 1.083 . . . . 0.0 110.222 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.99 160.59 30.63 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.528 1.131 . . . . 0.0 108.816 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 25' ' ' MET . 15.5 m80 -70.51 156.46 91.89 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.522 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.59 -6.43 16.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 124.188 3.259 . . . . 0.0 111.694 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -116.56 9.29 14.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.197 1.799 . . . . 0.0 111.336 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.7 m -143.47 40.99 1.46 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.938 1.295 . . . . 0.0 111.441 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -126.74 88.59 2.85 Favored 'General case' 0 C--N 1.324 -0.513 1 N-CA-C 98.571 -4.603 . . . . 0.0 98.571 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.35 163.36 33.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.89 123.46 19.03 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.919 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttm -57.61 -38.33 74.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.939 1.7 . . . . 0.0 112.258 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -73.77 -19.18 60.85 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.67 -5.8 2.22 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.78 3.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.18 2.192 . . . . 0.0 114.725 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.5 p -69.67 132.02 33.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 120.745 1.611 . . . . 0.0 108.474 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.2 mm -60.77 138.33 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.857 1.663 . . . . 0.0 109.368 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.88 123.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 103.36 -2.829 . . . . 0.0 103.36 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -116.34 173.3 6.67 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.182 1.793 . . . . 0.0 108.447 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.97 92.62 1.29 Allowed 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.32 -25.92 1.55 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.36 1.457 . . . . 0.0 111.185 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.48 145.65 26.16 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.08 119.35 24.38 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.744 -0.598 . . . . 0.0 111.75 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -95.7 164.71 12.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.684 1.193 . . . . 0.0 107.915 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.9 109.43 4.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.95 135.42 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -130.03 125.67 60.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.415 0.552 . . . . 0.0 109.921 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 34.35 44.65 0.11 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 129.422 3.089 . . . . 0.0 114.004 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p80 39.03 36.23 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.159 1.783 . . . . 0.0 113.01 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.64 -11.92 0.69 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.222 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -148.17 159.93 43.44 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.909 1.231 . . . . 0.0 108.891 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.0 tp -131.51 136.13 47.63 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.913 1.685 . . . . 0.0 108.224 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.58 175.33 9.52 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.347 1.459 . . . . 0.0 110.089 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.3 153.23 18.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.95 97.21 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.068 0.849 . . . . 0.0 112.703 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -65.63 -28.45 69.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.964 -1.315 . . . . 0.0 113.309 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.335 78.5 m -93.74 -31.67 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.126 0.97 . . . . 0.0 110.541 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -69.24 -25.66 64.4 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.8 -34.43 69.61 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.242 1.417 . . . . 0.0 110.554 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.61 -29.49 68.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.787 1.235 . . . . 0.0 111.048 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 -49.61 56.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 125.166 1.387 . . . . 0.0 109.421 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 m -75.55 -15.42 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.081 0.552 . . . . 0.0 112.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.13 0.69 1.22 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.284 1.434 . . . . 0.0 114.698 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.1 177.25 42.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.75 1.167 . . . . 0.0 110.375 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.46 111.93 1.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.686 2.924 . . . . 0.0 108.157 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -71.69 -33.29 68.68 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 118.353 -0.832 . . . . 0.0 113.212 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.6 m -76.77 169.03 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 120.024 1.284 . . . . 0.0 110.246 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 178.526 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.613 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -136.83 175.71 9.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 108.497 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -165.0 -168.96 1.55 Allowed 'General case' 0 C--O 1.243 0.713 0 C-N-CA 126.546 1.938 . . . . 0.0 106.578 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 166.44 32.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 127.319 2.39 . . . . 0.0 109.029 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -139.99 164.53 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.07 1.748 . . . . 0.0 108.233 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -135.76 -174.15 3.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.719 1.607 . . . . 0.0 107.769 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 145.05 4.05 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -145.25 59.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.496 1.518 . . . . 0.0 108.629 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -79.29 157.2 27.78 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.11 -23.38 0.25 Allowed 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.499 -0.751 . . . . 0.0 112.733 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -68.34 107.53 2.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.6 143.62 14.6 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -178.49 4.13 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -83.81 7.77 16.89 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.472 -0.767 . . . . 0.0 111.562 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.94 -175.63 39.16 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-O 122.229 0.905 . . . . 0.0 111.284 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -84.03 145.13 28.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.779 0.832 . . . . 0.0 110.573 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -128.21 155.26 44.8 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.369 1.467 . . . . 0.0 110.627 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -71.38 109.98 5.71 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -47.24 -39.34 14.03 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.663 1.185 . . . . 0.0 110.242 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 -34.76 78.13 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-O 116.663 -2.187 . . . . 0.0 116.037 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -116.2 -8.46 11.74 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 81.11 -16.12 0.67 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.809 1.64 . . . . 0.0 111.954 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.46 144.69 30.28 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.957 -1.09 . . . . 0.0 109.766 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.95 163.26 27.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.59 2.356 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.42 101.5 6.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.4 p -82.4 73.13 9.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.96 -151.52 23.15 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.6 169.3 14.62 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 123.389 2.726 . . . . 0.0 112.891 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -148.12 163.92 35.47 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 126.119 1.767 . . . . 0.0 109.798 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.4 ttt -113.65 140.78 47.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.13 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.72 134.84 14.9 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.016 1.726 . . . . 0.0 106.652 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.86 10.6 32.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.894 -0.948 . . . . 0.0 112.89 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 87.43 -9.48 0.59 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 130.155 3.382 . . . . 0.0 112.604 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.0 177.55 8.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.303 1.841 . . . . 0.0 109.814 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -137.9 129.44 28.07 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.171 0.896 . . . . 0.0 111.516 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -139.73 159.07 43.02 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.862 0.865 . . . . 0.0 111.668 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -68.27 149.38 98.11 Favored Pre-proline 0 N--CA 1.473 0.677 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.25 -51.39 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 123.823 3.015 . . . . 0.0 112.606 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.06 -42.64 90.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 122.27 1.033 . . . . 0.0 110.184 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.33 13.1 1.0 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -110.31 82.05 1.53 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 101.018 -3.697 . . . . 0.0 101.018 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.97 167.24 20.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 112.614 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.1 t -77.52 123.79 27.05 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.99 -49.76 76.4 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 120.395 1.452 . . . . 0.0 108.671 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -57.85 -22.85 50.03 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.46 -7.01 1.74 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 71.78 -7.85 1.19 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 128.743 2.817 . . . . 0.0 115.438 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 p -63.27 137.95 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 120.786 1.63 . . . . 0.0 110.256 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -70.83 147.36 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.833 1.653 . . . . 0.0 106.787 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -121.89 94.51 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.752 1.16 . . . . 0.0 108.577 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -78.12 172.09 14.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.305 1.042 . . . . 0.0 109.565 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -11.91 3.19 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.77 -17.43 44.65 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 118.038 -1.424 . . . . 0.0 114.866 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.51 140.19 39.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.838 1.819 . . . . 0.0 109.517 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.42 106.8 2.64 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.536 1.134 . . . . 0.0 113.375 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -85.74 -173.54 4.67 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.51 1.124 . . . . 0.0 108.322 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.79 152.31 34.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.98 99.49 4.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.18 130.72 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -55.91 -6.83 0.25 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.53 2.332 . . . . 0.0 114.524 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -67.76 -0.61 4.28 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.595 2.358 . . . . 0.0 113.112 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 80.09 7.86 1.56 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.742 2.817 . . . . 0.0 112.225 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -113.82 150.66 33.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.312 1.445 . . . . 0.0 109.233 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.85 141.39 40.97 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.364 1.465 . . . . 0.0 108.298 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.29 159.33 42.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.01 1.724 . . . . 0.0 110.017 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.13 157.39 16.31 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 102.311 -3.218 . . . . 0.0 102.311 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.37 -46.54 52.19 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 118.599 -1.112 . . . . 0.0 111.844 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.78 -51.06 70.95 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.985 1.392 . . . . 0.0 111.527 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.39 -38.41 86.97 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.265 1.026 . . . . 0.0 111.769 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -69.53 -39.15 77.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.69 -17.28 60.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.517 1.127 . . . . 0.0 111.743 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.56 -48.97 11.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.445 -0.784 . . . . 0.0 111.515 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.69 -37.58 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 122.808 0.443 . . . . 0.0 112.176 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.6 m -62.08 -11.38 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -8.15 54.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.309 -0.87 . . . . 0.0 112.41 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.63 168.13 33.22 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 120.389 1.449 . . . . 0.0 113.003 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -78.47 60.99 7.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 125.063 3.842 . . . . 0.0 112.252 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 m -63.59 146.89 52.85 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.518 0.727 . . . . 0.0 109.229 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.28 176.22 12.21 Favored 'General case' 0 N--CA 1.462 0.128 0 O-C-N 120.848 -1.157 . . . . 0.0 110.157 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 107.588 -2.205 . . . . 0.0 107.588 179.592 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -62.08 138.27 58.37 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.582 1.153 . . . . 0.0 107.949 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -65.44 -47.48 76.03 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.496 0.589 . . . . 0.0 110.533 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.04 92.71 0.09 OUTLIER Glycine 0 C--N 1.334 0.42 0 N-CA-C 108.441 -1.863 . . . . 0.0 108.441 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -144.39 169.72 17.39 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 118.69 1.245 . . . . 0.0 112.082 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -77.08 173.32 11.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.373 0.606 . . . . 0.0 109.565 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.12 61.47 0.05 OUTLIER Glycine 0 CA--C 1.519 0.323 0 N-CA-C 107.977 -2.049 . . . . 0.0 107.977 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -150.47 138.75 20.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -140.44 166.06 25.74 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.19 1.396 . . . . 0.0 107.698 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -79.79 -26.87 40.45 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -75.67 129.66 37.49 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.4 143.91 11.24 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 106.06 -2.816 . . . . 0.0 106.06 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -151.54 163.38 39.15 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.51 10.8 23.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.524 1.53 . . . . 0.0 114.178 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.7 -148.33 8.39 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.644 1.565 . . . . 0.0 113.346 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -139.19 166.44 24.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.281 1.832 . . . . 0.0 109.613 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -128.95 163.95 24.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.687 2.795 . . . . 0.0 109.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.494 ' C ' ' H ' ' A' ' 20' ' ' GLY . 41.4 t -69.55 112.83 6.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 116.616 -1.659 . . . . 0.0 108.134 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -64.83 19.8 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.182 1.793 . . . . 0.0 114.818 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -126.82 -36.16 0.53 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 128.939 3.161 . . . . 0.0 110.13 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.63 -2.7 7.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m 67.33 -3.35 1.05 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.573 1.949 . . . . 0.0 113.497 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.0 153.91 22.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 120.48 1.491 . . . . 0.0 108.313 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.31 158.64 36.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.136 2.175 . . . . 0.0 113.555 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -121.32 154.34 36.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 127.671 2.389 . . . . 0.0 106.202 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -143.05 -8.01 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.587 0.755 . . . . 0.0 112.448 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.31 -148.15 7.36 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.129 1.347 . . . . 0.0 111.173 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.02 165.68 29.3 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.048 1.832 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -147.93 173.45 12.85 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.16 1.784 . . . . 0.0 106.88 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 95.9 mtp -120.0 147.95 44.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -109.44 127.59 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.12 142.43 11.69 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.58 33.4 54.45 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.135 -1.37 . . . . 0.0 112.754 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.271 8.1 pt-20 60.28 -5.13 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.981 2.912 . . . . 0.0 115.887 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.52 -171.99 2.4 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.121 1.368 . . . . 0.0 111.236 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -134.0 138.59 45.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.219 1.407 . . . . 0.0 108.492 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -147.44 164.26 33.92 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.502 1.121 . . . . 0.0 108.674 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -63.89 154.35 81.55 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 117.998 -1.481 . . . . 0.0 112.259 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.36 -5.63 16.43 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 125.116 3.877 . . . . 0.0 113.349 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -114.32 9.6 16.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.876 2.07 . . . . 0.0 111.079 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.273 7.2 m -121.57 -4.31 9.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.468 -1.395 . . . . 0.0 114.495 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -87.67 91.68 8.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 102.299 -3.223 . . . . 0.0 102.299 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.63 153.06 51.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.33 1.052 . . . . 0.0 111.635 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -68.25 123.77 21.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.44 -30.7 71.42 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.626 1.103 . . . . 0.0 111.915 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -33.03 69.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.3 p -124.04 -10.58 7.63 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.113 1.524 . . . . 0.0 115.113 -177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp 66.28 7.49 4.93 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.159 1.784 . . . . 0.0 115.315 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.8 p -73.86 142.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 105.358 -2.089 . . . . 0.0 105.358 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.1 mm -69.05 148.61 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.59 102.53 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 103.543 -2.762 . . . . 0.0 103.543 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.8 171.54 7.72 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.1 10.59 0.28 Allowed 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.036 -1.04 . . . . 0.0 112.477 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.0 28.1 4.18 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.408 1.956 . . . . 0.0 116.813 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -131.69 177.04 7.82 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.585 2.692 . . . . 0.0 108.272 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.55 144.06 36.72 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.366 -0.834 . . . . 0.0 109.292 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -136.4 169.34 17.83 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.153 0.981 . . . . 0.0 109.856 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.69 130.31 16.92 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.7 mt -98.82 119.88 38.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.73 124.88 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 38.85 46.08 1.02 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.283 2.233 . . . . 0.0 112.001 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 44.03 23.84 0.07 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.959 2.903 . . . . 0.0 114.765 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.39 -6.06 2.28 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.6 m -136.15 140.43 43.64 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 tp -118.69 128.79 54.85 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.07 0.948 . . . . 0.0 112.201 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -133.44 161.69 33.89 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.982 0.913 . . . . 0.0 110.569 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.11 161.59 14.69 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -48.69 44.07 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.816 0.735 . . . . 0.0 113.135 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -62.78 -36.05 81.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.688 1.244 . . . . 0.0 112.845 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.84 -51.11 11.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.655 1.182 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.61 -30.56 68.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.988 0.813 . . . . 0.0 110.743 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -60.94 -22.99 64.94 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.945 -0.472 . . . . 0.0 111.931 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -79.67 -42.26 25.15 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.922 1.289 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.69 -24.27 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.82 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -95.42 -14.0 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.283 0.947 . . . . 0.0 111.961 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.8 t -69.65 154.72 41.59 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.76 -146.48 50.35 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.01 106.92 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.479 2.119 . . . . 0.0 111.72 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.7 m -178.04 165.77 1.95 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 129.953 3.301 . . . . 0.0 107.838 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.1 p -120.45 178.02 4.82 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.05 0.94 . . . . 0.0 113.525 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.461 0 O-C-N 120.264 -1.523 . . . . 0.0 112.107 179.447 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -150.6 106.2 3.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -145.16 148.86 34.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.21 1.404 . . . . 0.0 108.838 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.49 66.32 0.01 OUTLIER Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 t -144.76 -173.52 4.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.261 2.224 . . . . 0.0 106.883 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -161.61 155.16 21.46 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 127.644 2.378 . . . . 0.0 105.784 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.41 175.2 32.93 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -116.45 165.87 12.72 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -117.2 91.3 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.43 1.492 . . . . 0.0 107.981 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -117.61 -20.78 8.84 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.426 1.49 . . . . 0.0 112.989 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -71.29 165.91 22.7 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.48 13.9 59.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 120.863 -1.148 . . . . 0.0 114.28 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 163.96 4.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.128 1.464 . . . . 0.0 111.876 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -126.56 -19.11 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.821 1.648 . . . . 0.0 112.211 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.86 -172.49 29.33 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 118.895 0.771 . . . . 0.0 112.582 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.17 149.46 22.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.22 1.808 . . . . 0.0 109.655 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -128.54 150.96 49.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.661 1.985 . . . . 0.0 107.715 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' C ' ' H ' ' A' ' 20' ' ' GLY . 37.2 t -55.55 116.88 3.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.739 1.154 . . . . 0.0 110.053 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -73.53 31.12 0.07 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.87 1.668 . . . . 0.0 112.849 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -135.16 -31.77 0.32 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 128.044 2.735 . . . . 0.0 110.626 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -129.73 -0.78 4.85 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m 70.69 -8.52 0.91 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.436 1.494 . . . . 0.0 113.49 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 154.32 22.65 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.313 1.869 . . . . 0.0 111.319 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 26' ' ' THR . 25.1 tp -68.96 143.69 54.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 127.335 2.254 . . . . 0.0 112.93 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -20.25 49.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.242 1.017 . . . . 0.0 111.963 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.434 ' H ' ' HG ' ' A' ' 24' ' ' LEU . 64.0 p 55.11 35.13 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.793 1.637 . . . . 0.0 111.584 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.4 -108.37 0.69 Allowed Glycine 0 CA--C 1.527 0.799 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.828 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.84 153.72 58.67 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.902 2.401 . . . . 0.0 114.681 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -149.88 175.07 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 128.722 2.809 . . . . 0.0 107.811 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.3 mtp -118.69 149.79 40.83 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -124.43 130.0 73.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.783 0.833 . . . . 0.0 110.955 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.99 132.96 15.15 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.44 18.66 58.9 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 76.41 -3.41 2.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.439 2.695 . . . . 0.0 111.545 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -79.17 164.13 24.47 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.243 1.817 . . . . 0.0 110.516 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -119.61 125.13 48.02 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.787 0.835 . . . . 0.0 111.516 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -137.26 154.91 50.03 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.351 0.66 . . . . 0.0 110.28 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -67.9 150.65 97.69 Favored Pre-proline 0 N--CA 1.48 1.044 0 CA-C-O 117.012 -1.471 . . . . 0.0 108.196 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.83 -46.54 19.33 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.546 2.164 . . . . 0.0 111.425 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.14 1.34 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.151 -0.968 . . . . 0.0 113.158 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -120.58 1.18 10.59 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.235 1.414 . . . . 0.0 112.084 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -91.07 98.55 11.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 100.494 -3.891 . . . . 0.0 100.494 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.33 160.89 39.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -65.27 123.06 18.58 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.75 -31.63 69.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.854 1.207 . . . . 0.0 112.073 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -44.09 40.97 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.615 1.566 . . . . 0.0 114.72 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.7 p -105.99 -5.89 19.2 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 62.35 -0.27 0.53 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.742 2.417 . . . . 0.0 116.192 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -68.1 143.9 14.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-N 120.688 1.586 . . . . 0.0 108.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.24 139.08 20.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -105.68 110.84 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 101.98 -3.341 . . . . 0.0 101.98 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.98 164.69 10.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.936 0.494 . . . . 0.0 111.148 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.19 50.63 0.92 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.171 2.188 . . . . 0.0 109.87 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.65 -21.11 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 128.711 3.053 . . . . 0.0 110.901 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.77 149.82 48.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.764 1.782 . . . . 0.0 109.071 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 86.09 1.07 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.802 0.811 . . . . 0.0 109.733 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -78.88 169.95 17.44 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.069 1.348 . . . . 0.0 109.565 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.95 109.34 3.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tp -90.6 156.57 18.04 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 62' ' ' HIS . 90.5 t -127.04 159.94 36.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 125.016 1.326 . . . . 0.0 108.475 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -60.79 1.45 0.14 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 0.0 113.133 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 60' ' ' VAL . 32.6 t60 -111.89 167.47 10.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.046 2.938 . . . . 0.0 108.488 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' C ' ' HG1' ' A' ' 64' ' ' THR . . . -81.52 67.04 7.33 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.462 ' HG1' ' C ' ' A' ' 63' ' ' ALA . 67.5 m -149.9 152.2 34.66 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 120.47 -1.394 . . . . 0.0 109.21 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 tp -128.77 142.15 51.08 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.328 1.851 . . . . 0.0 109.184 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.68 169.31 17.74 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.564 1.146 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.9 160.28 14.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.34 -44.56 89.67 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.044 0.838 . . . . 0.0 112.985 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -59.32 5.55 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.215 1.008 . . . . 0.0 109.738 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.28 63.6 m -59.0 -32.71 69.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.28 1.032 . . . . 0.0 112.606 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -64.07 -39.56 94.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.818 1.19 . . . . 0.0 109.021 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -70.04 -40.26 75.25 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -60.97 -25.65 67.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.205 1.802 . . . . 0.0 112.932 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.81 -41.47 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.128 0.877 . . . . 0.0 110.883 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.45 -27.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.106 0.866 . . . . 0.0 111.729 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.2 m -66.17 155.55 36.63 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.662 0.665 . . . . 0.0 111.111 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.64 -96.93 0.16 Allowed Glycine 0 CA--C 1.523 0.541 0 CA-C-O 118.642 -1.088 . . . . 0.0 112.964 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -89.43 -164.4 0.16 Allowed 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 124.188 3.259 . . . . 0.0 111.107 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.73 1.16 0.27 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.58 1.952 . . . . 0.0 114.736 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.5 p -63.09 -11.61 21.14 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.76 1.618 . . . . 0.0 113.237 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.913 0 C-N-CA 124.783 1.182 . . . . 0.0 111.387 178.86 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.764 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -162.66 -178.19 6.04 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.427 2.291 . . . . 0.0 106.661 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -147.71 128.49 14.32 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 108.948 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 103.97 0.19 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.488 1.042 . . . . 0.0 111.008 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -143.28 137.87 29.16 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -159.66 163.95 34.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 110.855 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 -175.1 15.68 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.084 -2.407 . . . . 0.0 107.084 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -160.14 139.36 10.87 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -101.74 177.93 4.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.014 1.326 . . . . 0.0 111.64 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -158.96 -172.56 3.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.826 3.251 . . . . 0.0 106.19 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -142.95 162.94 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.108 -1.62 . . . . 0.0 107.981 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.29 -166.69 32.73 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 118.638 0.654 . . . . 0.0 112.063 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -55.09 130.94 43.81 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.291 1.436 . . . . 0.0 107.86 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -61.21 -54.25 46.64 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.89 -162.76 45.36 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 122.299 0.944 . . . . 0.0 112.838 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -115.61 109.06 17.22 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -72.84 129.01 37.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.115 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.91 114.77 6.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.133 -1.413 . . . . 0.0 108.021 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.12 -23.35 46.53 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.662 1.119 . . . . 0.0 110.021 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.21 -27.48 63.91 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.973 -1.459 . . . . 0.0 113.747 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.08 -1.55 1.95 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 58.8 52.71 6.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.827 1.194 . . . . 0.0 110.362 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -142.67 154.99 44.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.805 1.242 . . . . 0.0 108.412 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 tp -73.76 122.63 22.72 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.608 1.963 . . . . 0.0 113.042 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.6 ptp -83.98 152.56 24.38 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -136.56 -11.85 1.82 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.18 -152.61 10.67 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.112 1.339 . . . . 0.0 109.854 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.31 169.53 12.23 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.16 2.573 . . . . 0.0 110.971 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -140.57 172.32 12.88 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.333 0.653 . . . . 0.0 112.608 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 91.5 mtp -131.75 162.66 29.97 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -134.41 141.83 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 125.063 1.345 . . . . 0.0 107.82 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.69 123.99 8.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.23 32.33 71.61 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-O 119.107 -0.829 . . . . 0.0 114.241 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 74.46 6.6 4.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.526 1.13 . . . . 0.0 111.741 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -106.76 159.15 16.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.364 . . . . 0.0 109.344 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -105.64 122.58 46.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.257 1.023 . . . . 0.0 112.214 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -133.34 149.6 51.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.187 1.395 . . . . 0.0 110.655 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -78.28 155.56 79.31 Favored Pre-proline 0 N--CA 1.476 0.874 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -59.61 -47.85 15.01 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 124.138 3.226 . . . . 0.0 112.616 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.39 4.42 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.68 1.992 . . . . 0.0 114.886 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.17 4.6 2.48 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.51 1.524 . . . . 0.0 110.586 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.62 85.27 7.45 Favored 'General case' 0 N--CA 1.45 -0.46 1 N-CA-C 98.324 -4.695 . . . . 0.0 98.324 177.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -140.41 154.07 46.55 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.025 -1.047 . . . . 0.0 113.683 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 11.2 t -63.67 123.76 19.67 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 mmt -56.01 -49.38 73.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.118 0.872 . . . . 0.0 111.828 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -62.17 -26.28 68.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -126.35 -11.1 6.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -176.612 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp 50.18 63.5 2.17 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.222 1.809 . . . . 0.0 111.82 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.9 p -124.65 133.54 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.32 135.44 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.59 92.74 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 100.996 -3.705 . . . . 0.0 100.996 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.17 174.54 6.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.236 0.541 . . . . 0.0 109.85 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.93 -12.01 4.03 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.349 1.459 . . . . 0.0 113.932 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.0 -8.92 38.24 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 117.487 -1.729 . . . . 0.0 113.833 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.51 150.96 23.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.638 2.219 . . . . 0.0 108.371 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.61 87.04 5.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.52 0.676 . . . . 0.0 110.66 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.66 169.03 19.04 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.809 0.844 . . . . 0.0 111.252 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.44 153.16 40.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.156 1.782 . . . . 0.0 107.767 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -133.33 127.08 32.76 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.722 1.209 . . . . 0.0 110.581 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG11 ' H ' ' A' ' 62' ' ' HIS . 54.1 t -93.86 158.53 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.81 -17.87 10.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.436 ' H ' HG11 ' A' ' 60' ' ' VAL . 16.8 m170 -88.57 -179.66 6.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.688 1.995 . . . . 0.0 110.315 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.24 49.18 1.09 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -143.57 143.71 31.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.249 1.019 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.64 144.31 48.83 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.41 176.06 8.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 122.397 1.094 . . . . 0.0 109.261 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.74 161.46 14.32 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.18 -44.62 93.15 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.754 1.161 . . . . 0.0 112.233 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -61.14 -33.03 72.75 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.834 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.253 1.3 m -79.32 -42.94 24.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.188 1.795 . . . . 0.0 110.483 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -66.14 -41.91 89.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.563 1.074 . . . . 0.0 110.81 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.46 -21.07 61.92 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.565 0.746 . . . . 0.0 111.964 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -85.96 -44.37 12.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.308 1.043 . . . . 0.0 110.509 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 m -66.08 -37.07 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.042 -1.036 . . . . 0.0 111.838 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.2 -23.79 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 118.966 0.803 . . . . 0.0 111.489 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.3 t -73.88 -0.83 17.21 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.089 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 17.51 80.12 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.953 3.644 . . . . 0.0 114.426 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.96 -30.85 92.64 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.09 1.86 . . . . 0.0 112.755 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 p -120.84 -177.56 3.51 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.803 2.441 . . . . 0.0 110.265 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -58.42 -19.75 38.92 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.295 1.038 . . . . 0.0 113.423 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.204 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -147.86 138.85 23.35 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m 55.37 30.17 14.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.264 1.026 . . . . 0.0 110.775 -177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.06 128.65 48.11 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -54.78 128.2 31.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 p -142.01 158.2 44.05 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.776 1.63 . . . . 0.0 107.585 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.78 -80.7 1.51 Allowed Glycine 0 CA--C 1.518 0.265 0 N-CA-C 103.992 -3.643 . . . . 0.0 103.992 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -76.69 151.59 36.05 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -148.95 63.67 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 123.146 1.451 . . . . 0.0 108.308 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -64.75 -14.29 58.27 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.055 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -71.07 -19.19 62.51 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.841 1.256 . . . . 0.0 111.291 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.75 -130.73 3.16 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 126.025 1.774 . . . . 0.0 112.733 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -143.59 116.83 8.99 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -139.68 -28.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.583 0.753 . . . . 0.0 112.856 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.25 -176.49 44.49 Favored Glycine 0 C--O 1.238 0.352 0 CA-C-N 119.234 0.925 . . . . 0.0 112.41 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 154.83 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.957 1.303 . . . . 0.0 108.097 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -128.46 147.7 50.69 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.606 1.562 . . . . 0.0 107.768 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 t -68.7 109.62 3.9 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.527 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -50.36 -40.77 50.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.232 1.833 . . . . 0.0 111.276 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.93 -34.63 30.73 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.368 -1.24 . . . . 0.0 113.632 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.7 p -122.72 -10.26 8.32 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.308 1.554 . . . . 0.0 114.35 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m 70.48 0.12 3.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.735 2.814 . . . . 0.0 113.417 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.96 159.52 18.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.558 1.072 . . . . 0.0 109.23 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 25' ' ' MET . 49.4 tp -62.63 164.12 8.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.46 1.904 . . . . 0.0 111.578 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.419 ' H ' HD12 ' A' ' 24' ' ' LEU . 24.0 ptp -125.27 152.09 45.1 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.035 2.134 . . . . 0.0 106.393 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.7 p -115.87 -6.09 12.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.24 -133.98 1.94 Allowed Glycine 0 CA--C 1.526 0.747 0 CA-C-O 118.29 -1.283 . . . . 0.0 110.162 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -65.56 170.14 11.59 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.452 2.768 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.644 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 6.5 p90 -142.34 169.01 18.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 127.281 2.232 . . . . 0.0 107.167 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.5 mtp -116.23 128.69 55.81 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.17 129.17 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.59 140.47 17.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.27 22.92 23.91 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.789 -1.006 . . . . 0.0 113.889 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 75.19 11.75 3.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.28 2.232 . . . . 0.0 112.468 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.71 179.04 5.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.305 1.842 . . . . 0.0 112.304 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.644 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 25.3 mmtp -132.76 122.09 24.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.589 1.556 . . . . 0.0 107.817 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.87 150.52 50.47 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -61.5 149.92 82.37 Favored Pre-proline 0 N--CA 1.473 0.715 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.267 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 -5.64 17.47 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.295 3.33 . . . . 0.0 113.663 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -118.12 16.4 14.11 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.582 1.953 . . . . 0.0 109.306 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.7 m -135.54 3.16 3.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -83.87 115.7 22.4 Favored 'General case' 0 C--N 1.328 -0.328 1 N-CA-C 100.125 -4.028 . . . . 0.0 100.125 177.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.74 159.96 43.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.281 0.946 . . . . 0.0 112.518 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.9 t -66.47 123.33 19.72 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 100.54 -3.874 . . . . 0.0 100.54 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -58.2 -54.24 49.26 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 121.482 1.946 . . . . 0.0 108.507 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -59.08 3.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.747 2.019 . . . . 0.0 113.462 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -91.36 -9.58 44.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt 64.42 -0.09 0.98 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.868 2.467 . . . . 0.0 115.628 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.0 p -70.68 143.87 14.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 120.694 1.588 . . . . 0.0 109.575 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.0 mm -66.0 144.09 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 124.683 1.193 . . . . 0.0 109.064 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -114.74 139.75 39.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -126.77 175.76 7.76 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 126.53 1.932 . . . . 0.0 109.115 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.48 49.96 1.39 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 123.065 1.412 . . . . 0.0 107.973 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -157.86 -11.33 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 C-N-CA 127.696 2.569 . . . . 0.0 112.025 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -92.66 -150.54 0.27 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.73 31.35 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -144.62 166.75 24.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 111.792 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.5 125.02 11.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.187 1.395 . . . . 0.0 108.9 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 146.0 24.98 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.71 160.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 126.503 1.921 . . . . 0.0 108.85 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -52.08 -57.0 10.89 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.657 1.583 . . . . 0.0 108.235 178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.85 146.98 53.83 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.78 62.11 0.1 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.205 2.202 . . . . 0.0 112.479 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -139.32 135.88 34.24 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.0 tp -108.83 138.79 44.6 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.931 1.292 . . . . 0.0 108.632 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -133.98 163.11 30.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.477 1.111 . . . . 0.0 109.238 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.37 162.46 14.25 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.77 16.58 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.885 1.231 . . . . 0.0 113.367 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.65 -52.19 61.83 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.017 0.909 . . . . 0.0 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.284 1.5 m -56.52 -43.48 79.82 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.892 1.277 . . . . 0.0 111.416 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -68.82 -37.02 78.93 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.831 1.196 . . . . 0.0 108.762 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.82 -12.1 22.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.672 0.789 . . . . 0.0 111.413 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -100.2 -45.55 5.59 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -23.42 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.237 1.015 . . . . 0.0 113.092 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.9 m -69.62 -12.17 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 O-C-N 121.148 -0.97 . . . . 0.0 110.792 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.6 t -71.2 142.91 50.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.83 162.01 46.06 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -70.01 160.62 48.96 Favored 'Trans proline' 0 C--O 1.24 0.612 0 C-N-CA 122.706 2.271 . . . . 0.0 112.156 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -85.14 153.33 22.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.55 173.28 7.24 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.942 0.877 . . . . 0.0 110.288 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 N-CA-C 105.692 -2.963 . . . . 0.0 105.692 179.124 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -74.07 133.47 42.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -161.72 163.89 29.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.67 169.82 18.37 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -157.37 125.63 5.55 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.473 0.709 . . . . 0.0 110.574 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -79.58 168.89 18.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.24 0.616 . . . . 0.0 109.766 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.18 30.12 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.869 0.747 . . . . 0.0 111.691 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -158.72 -77.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -92.36 152.39 19.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -163.02 -22.08 0.04 OUTLIER 'General case' 0 C--O 1.236 0.373 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -69.22 -21.04 63.96 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.272 0.942 . . . . 0.0 111.307 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.29 85.74 0.56 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' A' ' 15' ' ' GLY . 21.7 tptm -148.64 81.39 1.45 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.3 32.31 0.15 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.35 1.86 . . . . 0.0 111.575 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 13' ' ' LYS . . . -82.92 -167.04 40.45 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 127.217 2.342 . . . . 0.0 111.414 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -98.24 143.45 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.959 1.304 . . . . 0.0 109.199 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -129.28 160.18 33.81 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.798 2.039 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.9 t -73.65 106.95 5.63 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -46.9 -42.35 17.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.743 1.156 . . . . 0.0 113.31 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.13 -27.6 71.68 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.456 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 2.2 p -120.59 -7.12 9.68 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t 70.82 -13.0 0.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.735 1.614 . . . . 0.0 114.052 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.35 148.18 37.61 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 119.853 -1.779 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.91 153.01 25.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.393 1.477 . . . . 0.0 110.509 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.7 ptp -107.53 -50.8 3.01 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.253 7.5 t 43.87 29.58 0.32 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.061 2.144 . . . . 0.0 113.198 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.64 -146.46 4.86 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.211 1.386 . . . . 0.0 111.843 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.55 154.91 61.63 Favored 'Trans proline' 0 C--O 1.241 0.628 0 C-N-CA 122.748 2.299 . . . . 0.0 112.847 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.3 167.68 25.41 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 125.898 1.679 . . . . 0.0 111.237 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.7 mtp -128.52 147.98 50.72 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.65 129.79 74.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 125.0 1.32 . . . . 0.0 112.366 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.34 140.74 15.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.55 20.37 51.39 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.788 -1.007 . . . . 0.0 113.915 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 77.79 5.21 2.91 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.443 2.697 . . . . 0.0 113.353 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -101.53 -177.58 3.47 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.011 1.324 . . . . 0.0 108.614 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -132.18 140.97 48.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -141.51 156.87 45.7 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.75 0.82 . . . . 0.0 110.64 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -70.87 147.24 94.01 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -62.8 -31.91 78.03 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.522 2.148 . . . . 0.0 109.935 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.94 -8.67 16.6 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.203 -1.561 . . . . 0.0 111.837 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.96 -4.21 12.6 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.331 1.853 . . . . 0.0 112.619 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -89.5 94.3 9.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.84 167.36 24.97 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 4.2 t -85.57 123.56 31.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 mmt -61.98 -57.6 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.62 1.168 . . . . 0.0 109.01 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.69 -19.11 5.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.471 1.909 . . . . 0.0 115.567 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -130.6 -10.61 4.0 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 52.09 58.76 5.1 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 127.695 2.398 . . . . 0.0 111.692 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -124.25 137.85 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.31 140.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mt -102.23 108.83 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.29 156.31 35.76 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.71 106.14 3.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.55 -26.4 1.97 Allowed Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.362 -1.244 . . . . 0.0 110.442 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -86.07 153.67 21.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.568 1.684 . . . . 0.0 108.422 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.81 148.25 32.96 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.01 -1.056 . . . . 0.0 111.325 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -143.07 168.21 20.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.741 1.216 . . . . 0.0 109.31 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.59 139.83 29.87 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.04 114.35 26.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -94.22 108.07 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' C ' ' H ' ' A' ' 63' ' ' ALA . 1.6 mp0 48.33 28.42 1.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.026 2.13 . . . . 0.0 113.064 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 m170 71.5 -36.03 0.35 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.909 2.483 . . . . 0.0 110.942 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -59.01 -29.5 67.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.957 2.103 . . . . 0.0 114.622 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.34 155.83 49.94 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.911 1.232 . . . . 0.0 111.066 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -126.22 134.14 51.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.079 1.752 . . . . 0.0 107.833 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -134.89 161.44 35.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.674 1.59 . . . . 0.0 108.966 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.2 161.85 14.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.62 -48.59 60.57 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.608 1.095 . . . . 0.0 112.246 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -58.49 -58.37 8.85 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.265 -1.138 . . . . 0.0 110.795 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.98 -41.72 75.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.211 2.204 . . . . 0.0 112.521 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -73.8 -45.13 53.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.62 0.646 . . . . 0.0 109.915 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -53.83 -37.63 63.79 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 123.71 0.804 . . . . 0.0 109.666 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -63.05 -50.63 69.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.635 1.574 . . . . 0.0 111.811 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.77 -28.43 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.15 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 m -88.26 -22.34 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.699 1.136 . . . . 0.0 112.245 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -82.45 -37.74 24.99 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.121 -0.987 . . . . 0.0 109.848 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.64 -179.2 14.1 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.621 0.629 . . . . 0.0 112.381 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -62.65 103.27 0.32 Allowed 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 124.063 3.175 . . . . 0.0 109.492 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -148.55 150.92 34.2 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.338 1.055 . . . . 0.0 110.466 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 p -130.69 -168.59 2.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.148 1.779 . . . . 0.0 111.83 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 N-CA-C 108.731 -1.748 . . . . 0.0 108.731 179.612 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.54 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -153.78 150.01 28.03 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.725 2.01 . . . . 0.0 106.77 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -175.13 166.36 3.46 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.588 2.355 . . . . 0.0 108.001 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.05 -172.61 6.76 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.311 0.958 . . . . 0.0 113.82 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p 170.81 161.81 0.08 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.615 3.166 . . . . 0.0 107.041 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -162.03 165.85 26.73 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.564 1.945 . . . . 0.0 106.694 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.48 112.24 0.69 Allowed Glycine 0 CA--C 1.519 0.334 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -148.29 -166.29 2.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.609 2.364 . . . . 0.0 106.751 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.16 146.84 28.41 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -139.3 -30.39 0.73 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.946 1.298 . . . . 0.0 111.147 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.22 176.68 9.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.66 1.184 . . . . 0.0 109.905 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.95 71.53 0.83 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 124.594 1.093 . . . . 0.0 110.423 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -127.4 154.35 45.12 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 125.379 1.471 . . . . 0.0 107.745 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.48 65.08 0.76 Allowed 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.112 0.958 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.49 164.05 33.31 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.84 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -128.6 154.21 46.45 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.811 1.644 . . . . 0.0 109.098 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.53 121.44 15.85 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.41 -29.78 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.034 0.834 . . . . 0.0 112.071 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.16 -66.39 2.04 Favored Glycine 0 CA--C 1.522 0.491 0 O-C-N 121.675 -0.641 . . . . 0.0 112.3 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -78.41 -11.6 59.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.07 20.41 12.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.313 1.445 . . . . 0.0 111.912 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.17 153.54 25.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.472 1.509 . . . . 0.0 111.22 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.39 169.08 17.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.974 2.11 . . . . 0.0 111.783 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 156.97 45.35 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.334 1.854 . . . . 0.0 108.384 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 p -136.57 7.68 3.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.761 1.624 . . . . 0.0 110.801 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.6 -166.39 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 128.338 2.875 . . . . 0.0 109.953 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.24 168.99 22.89 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.926 2.418 . . . . 0.0 111.177 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -149.82 169.13 21.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.736 1.615 . . . . 0.0 107.912 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mtp -120.69 161.79 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.34 129.59 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.25 112.92 7.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.74 26.08 64.5 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 118.877 -0.957 . . . . 0.0 113.137 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 77.29 -0.62 2.86 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.457 1.903 . . . . 0.0 111.662 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.44 167.95 13.55 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.082 1.353 . . . . 0.0 110.908 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -120.67 133.2 55.38 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.445 1.098 . . . . 0.0 110.192 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.79 155.03 42.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.092 1.357 . . . . 0.0 108.775 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.08 148.72 60.97 Favored Pre-proline 0 C--O 1.24 0.577 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.64 -48.76 12.01 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.366 2.711 . . . . 0.0 112.799 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -62.77 6.71 0.09 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.237 1.415 . . . . 0.0 114.488 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.9 m -133.17 -8.91 2.99 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.613 1.565 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -78.75 89.33 4.61 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.27 163.84 31.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 22.2 t -69.4 124.22 23.3 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.1 tpp -46.69 -54.11 10.3 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.954 0.902 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.9 m -73.44 -13.35 61.05 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 117.511 2.411 . . . . 0.0 117.511 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -130.82 -8.95 3.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 122.155 2.252 . . . . 0.0 115.54 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 58.4 5.39 0.43 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -68.92 139.71 20.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 120.772 1.624 . . . . 0.0 108.996 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.7 mm -77.98 120.67 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mt -84.76 164.46 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -131.93 167.31 19.84 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -80.81 63.97 5.41 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.59 23.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 C-N-CA 126.689 2.09 . . . . 0.0 110.819 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -147.65 133.01 18.53 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 121.47 12.46 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 126.478 1.911 . . . . 0.0 113.001 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -117.93 172.84 7.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.842 1.257 . . . . 0.0 108.214 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.2 112.24 7.26 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.67 149.59 31.2 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.32 156.85 21.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.05 176.93 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 110.21 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 m170 57.11 19.15 4.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.1 0.96 . . . . 0.0 111.62 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.53 27.3 13.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.307 2.243 . . . . 0.0 112.018 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -84.6 156.82 21.41 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 tp -150.39 141.41 22.98 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.045 -1.659 . . . . 0.0 109.147 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -134.71 165.88 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.555 0.693 . . . . 0.0 109.523 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.5 161.74 14.5 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -47.91 41.46 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 118.854 0.752 . . . . 0.0 113.172 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -61.94 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.534 1.167 . . . . 0.0 111.815 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.0 -44.8 71.18 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.955 1.702 . . . . 0.0 112.123 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -64.61 -46.27 83.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 119.194 0.906 . . . . 0.0 109.587 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -60.58 -21.91 63.14 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.628 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.17 -58.22 3.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.344 1.058 . . . . 0.0 109.553 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.4 -40.16 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.605 0.639 . . . . 0.0 112.558 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 m -72.73 -12.53 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.625 1.102 . . . . 0.0 113.116 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -60.68 171.99 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.479 1.112 . . . . 0.0 110.75 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.35 113.95 1.98 Allowed Glycine 0 CA--C 1.537 1.422 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -57.49 -20.8 42.66 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.424 2.749 . . . . 0.0 115.29 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.68 11.23 1.65 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.715 1.606 . . . . 0.0 112.167 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.9 64.13 4.65 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.134 1.774 . . . . 0.0 109.222 178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 N-CA-C 106.482 -2.647 . . . . 0.0 106.482 -179.189 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.524 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -144.49 174.96 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.028 1.331 . . . . 0.0 108.886 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -143.36 173.0 11.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.145 0.978 . . . . 0.0 108.574 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.84 -174.62 41.66 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 127.358 2.409 . . . . 0.0 107.737 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p 174.64 157.29 0.16 Allowed 'General case' 0 C--O 1.237 0.438 0 C-N-CA 127.374 2.27 . . . . 0.0 108.128 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -98.24 97.03 8.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.53 178.1 52.19 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -129.42 -4.93 4.8 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.016 1.726 . . . . 0.0 111.652 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -141.41 169.91 16.71 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.919 2.087 . . . . 0.0 107.133 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -156.74 -177.67 6.78 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 108.704 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -137.03 110.76 8.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.138 1.375 . . . . 0.0 108.195 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.12 157.99 43.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.167 -1.573 . . . . 0.0 109.167 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -142.91 176.12 9.32 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.554 1.141 . . . . 0.0 108.497 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -70.15 -4.94 23.79 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.246 . . . . 0.0 112.986 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.82 -178.29 47.79 Favored Glycine 0 C--N 1.338 0.683 0 CA-C-O 122.528 1.071 . . . . 0.0 112.841 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -107.4 150.5 26.67 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.528 1.531 . . . . 0.0 109.489 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -129.1 160.07 33.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.609 1.563 . . . . 0.0 109.178 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.02 100.79 3.67 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -49.69 -35.18 20.84 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.763 1.225 . . . . 0.0 112.229 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.19 -51.81 54.11 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.778 -1.012 . . . . 0.0 112.159 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.3 -11.27 21.4 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m 63.51 60.28 1.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.012 0.823 . . . . 0.0 109.715 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -147.69 143.07 27.36 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.505 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.1 tp -73.89 169.82 16.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.538 1.935 . . . . 0.0 111.69 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.06 162.85 30.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.294 1.838 . . . . 0.0 107.165 176.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -131.85 13.69 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 111.803 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.21 -155.8 6.65 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.193 1.378 . . . . 0.0 110.613 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.24 167.15 17.08 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 122.694 2.263 . . . . 0.0 111.324 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -145.5 167.92 21.83 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.72 1.208 . . . . 0.0 109.804 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 tpt -108.92 126.94 53.61 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 t -109.57 129.14 64.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.73 142.84 18.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.453 0.701 . . . . 0.0 109.393 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.64 10.68 19.17 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.284 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 88.54 2.92 0.28 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.432 3.493 . . . . 0.0 110.667 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.24 172.38 6.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.172 1.789 . . . . 0.0 109.032 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -130.83 141.36 50.33 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.737 -0.602 . . . . 0.0 112.023 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -144.92 161.11 40.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.692 0.797 . . . . 0.0 113.08 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.54 146.11 90.99 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.124 -1.417 . . . . 0.0 107.495 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -44.33 30.26 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.295 2.664 . . . . 0.0 110.611 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.35 -3.57 6.24 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.406 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.3 9.86 5.69 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.993 1.317 . . . . 0.0 111.317 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -88.18 89.53 8.03 Favored 'General case' 0 N--CA 1.45 -0.47 1 N-CA-C 98.675 -4.565 . . . . 0.0 98.675 176.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.53 158.02 45.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.7 t -66.07 124.87 23.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -61.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 119.487 1.04 . . . . 0.0 113.317 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -57.96 -28.52 64.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.3 p -120.46 -10.68 9.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 67.06 1.47 2.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.753 2.021 . . . . 0.0 114.703 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.3 p -66.02 134.98 29.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-N 120.493 1.497 . . . . 0.0 108.0 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.63 153.32 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.62 109.44 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.93 167.86 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -65.88 -0.37 2.24 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -9.98 37.79 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.746 1.641 . . . . 0.0 110.588 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -83.71 -165.15 1.04 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.26 1.424 . . . . 0.0 107.684 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.91 115.14 10.99 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -108.69 170.24 8.16 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.408 0.683 . . . . 0.0 110.334 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.86 11.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 151.56 43.56 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.49 157.68 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -49.42 -23.31 1.45 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.439 1.896 . . . . 0.0 113.699 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.85 -165.09 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.958 1.703 . . . . 0.0 109.375 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.19 47.93 0.9 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -137.78 139.2 39.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.474 1.11 . . . . 0.0 110.822 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.19 143.68 38.3 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.607 1.963 . . . . 0.0 109.548 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.71 168.9 17.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.494 1.14 . . . . 0.0 113.171 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.59 139.91 30.23 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.54 -35.46 56.81 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-N 119.512 1.051 . . . . 0.0 113.998 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -61.16 -54.84 39.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.288 1.544 . . . . 0.0 110.544 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.1 m -71.9 -34.45 69.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.282 1.033 . . . . 0.0 112.691 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -62.02 -36.34 81.25 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.821 1.191 . . . . 0.0 109.105 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.53 -11.66 26.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.214 0.606 . . . . 0.0 111.325 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.38 -24.52 14.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.691 1.596 . . . . 0.0 109.992 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -11.72 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 120.804 -1.185 . . . . 0.0 112.111 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.54 -16.27 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.926 0.89 . . . . 0.0 109.602 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -121.54 101.81 7.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.597 1.959 . . . . 0.0 107.281 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.02 177.92 46.15 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.62 1.105 . . . . 0.0 110.951 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.31 -51.83 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.474 2.782 . . . . 0.0 111.291 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t 41.69 36.38 0.59 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.33 1.852 . . . . 0.0 112.327 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -142.6 179.0 7.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.454 1.102 . . . . 0.0 111.696 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 -179.779 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -153.74 173.35 15.96 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 p -162.46 176.58 10.32 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.214 1.406 . . . . 0.0 108.442 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.26 161.46 35.02 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 107.671 -2.171 . . . . 0.0 107.671 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -170.12 173.27 5.97 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.065 1.346 . . . . 0.0 107.601 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -120.61 177.2 5.16 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 127.792 2.437 . . . . 0.0 105.937 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.27 162.99 30.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -133.6 174.23 10.65 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.842 1.657 . . . . 0.0 108.583 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.2 151.14 38.2 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.329 1.051 . . . . 0.0 110.682 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.88 -19.05 0.92 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.626 1.17 . . . . 0.0 113.609 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -77.24 68.63 3.39 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.382 1.073 . . . . 0.0 109.249 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.21 5.05 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 125.189 1.376 . . . . 0.0 111.369 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 15' ' ' GLY . 18.6 ptpt -172.47 174.37 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.934 1.294 . . . . 0.0 108.882 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -71.7 8.18 1.24 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.197 0.999 . . . . 0.0 111.016 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 13' ' ' LYS . . . -83.76 155.92 32.48 Favored Glycine 0 N--CA 1.444 -0.791 0 O-C-N 120.07 -1.644 . . . . 0.0 109.948 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.16 154.67 25.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.242 -0.979 . . . . 0.0 108.718 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -117.97 159.68 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.212 2.205 . . . . 0.0 107.702 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 43.2 t -74.34 107.54 6.57 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -46.36 -31.84 2.83 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.346 1.458 . . . . 0.0 113.606 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.53 -63.18 3.86 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 p -87.02 -11.79 49.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 41.16 11.61 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.608 1.963 . . . . 0.0 111.56 -177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.59 141.25 51.92 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.0 167.92 1.47 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.736 2.814 . . . . 0.0 113.897 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.05 157.48 45.59 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.026 1.73 . . . . 0.0 110.131 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -136.72 29.12 2.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.876 2.07 . . . . 0.0 110.111 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.66 -168.58 18.9 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.48 168.5 21.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.43 3.42 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -149.42 173.18 13.84 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.571 1.148 . . . . 0.0 110.345 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.8 tpp -105.56 141.03 37.74 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.25 128.31 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.7 142.05 2.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.69 1.596 . . . . 0.0 107.76 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.84 30.28 62.85 Favored Glycine 0 C--O 1.223 -0.565 0 CA-C-O 116.953 -2.026 . . . . 0.0 114.083 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.277 5.4 pt-20 53.97 10.18 0.26 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.084 2.554 . . . . 0.0 114.928 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -107.43 -176.51 3.09 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.457 2.303 . . . . 0.0 110.633 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -128.0 123.06 33.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.894 -1.129 . . . . 0.0 111.423 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -136.35 152.09 50.28 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.205 0.602 . . . . 0.0 110.862 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.446 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 31.4 m170 -69.17 150.93 97.27 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.3 -49.37 9.4 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 110.623 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.77 -6.11 3.38 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.87 0.868 . . . . 0.0 112.604 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -119.73 20.62 12.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.537 1.135 . . . . 0.0 111.74 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -116.84 85.59 2.35 Favored 'General case' 0 N--CA 1.449 -0.52 1 N-CA-C 99.424 -4.287 . . . . 0.0 99.424 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.44 159.73 41.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.949 0.9 . . . . 0.0 113.41 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 44.6 t -67.11 123.54 20.55 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -51.23 61.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.181 1.355 . . . . 0.0 113.355 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -60.28 -59.45 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.8 p -84.39 -12.75 53.89 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 67.85 2.44 3.08 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.697 1.999 . . . . 0.0 114.375 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 p -72.61 138.9 20.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 119.777 1.171 . . . . 0.0 108.907 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.11 149.42 11.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.7 mt -113.1 148.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 54' ' ' GLY . 24.4 mt-10 -132.15 177.16 7.78 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.717 1.207 . . . . 0.0 108.42 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.01 20.47 0.1 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.579 1.552 . . . . 0.0 111.65 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 52' ' ' GLU . . . -119.32 -11.48 7.37 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 126.456 1.979 . . . . 0.0 114.334 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -118.4 -165.27 1.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.329 2.065 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.43 140.95 48.8 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.702 1.201 . . . . 0.0 109.416 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -129.88 162.33 28.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.0 150.61 41.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 tp -123.66 114.17 19.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.84 120.29 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 48.35 24.9 0.77 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.829 2.052 . . . . 0.0 112.835 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m170 53.58 32.04 13.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.964 1.306 . . . . 0.0 109.774 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.07 -22.92 3.39 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.459 1.904 . . . . 0.0 113.341 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -140.39 146.33 38.23 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.237 0.926 . . . . 0.0 110.871 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -108.94 133.16 53.31 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.375 1.87 . . . . 0.0 110.91 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.24 166.17 25.23 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.907 0.883 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.81 161.78 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.65 -44.73 86.26 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 120.008 1.276 . . . . 0.0 113.162 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -59.32 -53.56 56.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.55 1.175 . . . . 0.0 109.726 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.11 -37.1 81.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.558 1.543 . . . . 0.0 111.551 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -73.78 -15.99 61.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.329 -0.857 . . . . 0.0 110.054 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -83.11 -13.15 56.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.016 -1.053 . . . . 0.0 111.566 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.91 -31.61 12.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.815 -1.178 . . . . 0.0 111.08 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -72.52 -35.82 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 118.738 0.699 . . . . 0.0 112.34 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.7 -17.28 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.621 0.768 . . . . 0.0 113.013 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 t -68.54 166.18 17.54 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.202 0.91 . . . . 0.0 109.468 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.62 110.75 1.76 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.076 1.798 . . . . 0.0 111.926 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -80.49 -176.3 3.12 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.773 2.316 . . . . 0.0 110.42 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 p -71.84 165.57 23.85 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -81.9 -8.34 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.171 -0.955 . . . . 0.0 111.847 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -179.271 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.554 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -142.67 153.17 43.16 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.079 0.952 . . . . 0.0 108.683 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -150.15 79.85 1.36 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.8 -39.88 54.0 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -112.04 175.58 5.37 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.43 1.892 . . . . 0.0 107.023 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -160.19 -40.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.301 1.441 . . . . 0.0 107.58 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.16 65.51 0.21 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 105.724 -2.95 . . . . 0.0 105.724 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.02 78.33 1.29 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.72 100.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.027 2.131 . . . . 0.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -162.36 153.53 17.79 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.07 1.748 . . . . 0.0 106.937 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -80.67 -25.27 38.36 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.58 -159.77 13.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -107.35 163.29 13.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.725 0.81 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -83.8 -10.26 58.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.362 0.665 . . . . 0.0 111.06 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.87 155.46 11.95 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -103.9 154.65 19.39 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.77 142.94 50.83 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.6 t -65.79 109.56 2.51 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -47.85 -41.96 25.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 124.04 0.837 . . . . 0.0 110.393 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -33.61 60.07 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-O 117.454 -1.748 . . . . 0.0 115.264 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -121.92 -7.65 8.94 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.416 1.608 . . . . 0.0 115.066 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.77 -0.05 1.39 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.629 1.572 . . . . 0.0 113.766 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 mt -79.38 163.95 24.42 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 120.4 -1.438 . . . . 0.0 110.928 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -81.54 151.89 27.52 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.174 2.189 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -135.49 155.98 49.64 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 p -134.36 -9.09 2.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.197 1.399 . . . . 0.0 110.456 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.81 -163.54 25.97 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 127.23 2.348 . . . . 0.0 111.7 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.95 167.56 25.64 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 109.965 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.16 174.34 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.496 1.519 . . . . 0.0 108.416 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.3 ttt -121.49 134.65 55.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.6 t -103.18 129.59 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.69 133.94 14.29 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.3 10.53 42.3 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.277 -0.735 . . . . 0.0 111.622 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 93.9 -20.88 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 1 C-N-CA 132.101 4.16 . . . . 0.0 110.371 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.86 161.39 31.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.221 2.208 . . . . 0.0 110.438 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -110.65 125.25 53.24 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.95 146.65 52.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.006 0.923 . . . . 0.0 108.673 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -70.12 151.37 96.01 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.97 -43.26 20.28 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.391 1.394 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 3.44 0.43 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.805 2.042 . . . . 0.0 114.29 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.31 -8.64 3.34 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.438 1.095 . . . . 0.0 111.37 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.0 83.32 8.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 100.456 -3.905 . . . . 0.0 100.456 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.17 153.48 51.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.123 1.369 . . . . 0.0 113.647 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.507 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 42.1 t -63.48 123.32 18.48 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.4 mmm -58.02 -49.55 76.46 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.497 1.044 . . . . 0.0 112.543 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -61.38 -58.39 8.42 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 1.2 p -78.82 -19.15 52.8 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 60.84 48.61 6.72 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 126.065 1.746 . . . . 0.0 111.823 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 p -121.92 139.04 50.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -62.26 148.61 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.99 1.431 . . . . 0.0 107.689 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -115.51 82.28 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 54' ' ' GLY . 36.0 mt-10 -72.31 176.83 4.94 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.68 12.17 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.655 1.982 . . . . 0.0 115.71 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 52' ' ' GLU . . . -115.72 -2.41 20.86 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.674 2.083 . . . . 0.0 113.057 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -127.59 136.09 51.18 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.77 110.81 22.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 124.221 1.008 . . . . 0.0 111.613 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -71.0 -179.74 2.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.342 1.457 . . . . 0.0 110.004 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.34 111.42 3.85 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.36 144.31 38.07 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.55 157.42 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.045 1.338 . . . . 0.0 107.925 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -52.59 -36.01 55.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.822 1.249 . . . . 0.0 112.025 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.74 143.99 26.86 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.28 69.37 0.09 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.597 1.559 . . . . 0.0 113.272 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -141.03 147.64 38.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.083 1.753 . . . . 0.0 106.356 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tp -108.73 141.7 40.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 120.848 -1.157 . . . . 0.0 109.737 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 162.36 35.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.823 1.249 . . . . 0.0 109.805 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.39 158.43 15.46 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.87 92.48 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 119.619 1.099 . . . . 0.0 112.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.2 -50.14 74.85 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.206 1.003 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.273 1.7 m -61.49 -43.31 99.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 110.332 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.76 -50.66 68.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.959 1.254 . . . . 0.0 109.254 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.54 -26.89 65.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.981 1.312 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -79.22 -53.75 6.65 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.633 1.173 . . . . 0.0 109.513 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.29 -38.85 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.58 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.15 -32.43 50.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.527 1.058 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.5 p -79.15 2.85 19.44 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.2 -169.23 12.38 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -65.57 152.21 82.48 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.031 1.821 . . . . 0.0 111.195 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.35 166.42 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.833 1.653 . . . . 0.0 107.8 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.7 p -162.43 163.51 27.63 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.515 1.126 . . . . 0.0 108.17 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 O-C-N 121.049 -1.032 . . . . 0.0 111.67 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -143.06 120.7 11.81 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.938 0.895 . . . . 0.0 108.945 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -130.98 164.09 26.12 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.793 1.637 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.1 138.97 25.27 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 124.743 1.163 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.75 154.59 47.46 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.775 1.23 . . . . 0.0 109.988 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m -101.54 165.96 10.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.211 1.404 . . . . 0.0 109.179 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 142.44 5.73 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 132.58 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.279 2.232 . . . . 0.0 105.551 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -158.11 170.99 21.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.66 1.984 . . . . 0.0 108.474 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -163.66 136.85 5.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -78.96 153.22 30.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 122.92 0.488 . . . . 0.0 111.98 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.71 154.36 5.68 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.883 1.23 . . . . 0.0 110.119 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.0 168.8 25.21 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.691 0.796 . . . . 0.0 110.204 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -80.64 -55.47 4.82 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.847 1.259 . . . . 0.0 109.674 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.26 -166.43 16.1 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 126.806 2.146 . . . . 0.0 109.509 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.71 149.37 32.77 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.35 160.36 26.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.964 2.105 . . . . 0.0 108.683 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.0 t -84.85 107.27 16.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 115.519 -2.182 . . . . 0.0 105.963 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -52.68 -38.82 61.21 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 121.236 1.835 . . . . 0.0 109.378 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.12 -49.15 9.94 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 124.506 1.05 . . . . 0.0 110.674 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -109.33 -5.44 15.85 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m 57.6 47.7 15.5 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.548 1.539 . . . . 0.0 110.95 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -141.2 154.57 45.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.094 1.758 . . . . 0.0 108.292 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.08 161.56 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.801 1.641 . . . . 0.0 110.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.48 ' HA ' ' HE2' ' A' ' 38' ' ' HIS . 23.0 ptp -118.73 -37.33 3.28 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p 55.72 -65.54 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.644 2.377 . . . . 0.0 113.849 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.7 -161.88 2.4 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.776 2.131 . . . . 0.0 112.814 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.43 167.94 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.702 2.268 . . . . 0.0 112.415 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.44 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 33.3 p90 -138.07 159.91 40.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.739 1.615 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 tpp -107.29 141.84 38.0 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.75 129.64 59.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.05 112.69 8.88 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.12 14.71 40.67 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 116.89 -2.061 . . . . 0.0 115.848 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 105.44 -15.92 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 1 C-N-CA 132.155 4.182 . . . . 0.0 110.039 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -76.34 161.95 28.3 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.577 1.151 . . . . 0.0 108.955 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 40.4 ttmt -126.21 123.66 38.69 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.328 1.051 . . . . 0.0 110.237 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -135.01 161.2 35.97 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.059 0.943 . . . . 0.0 111.924 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.48 ' HE2' ' HA ' ' A' ' 25' ' ' MET . 42.4 m80 -72.48 140.83 82.28 Favored Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 116.815 -1.954 . . . . 0.0 107.23 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.45 -43.82 31.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.286 2.657 . . . . 0.0 110.014 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.58 0.36 0.5 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.589 1.956 . . . . 0.0 113.641 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -132.42 -3.63 3.4 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.57 1.548 . . . . 0.0 111.398 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.38 91.08 6.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 102.437 -3.171 . . . . 0.0 102.437 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.58 155.14 49.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.567 0.747 . . . . 0.0 112.414 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 t -61.2 129.22 40.23 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.7 ttm -55.64 -47.52 76.49 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -69.89 -42.81 72.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -7.66 17.43 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 117.5 2.407 . . . . 0.0 117.5 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 62.18 5.77 1.61 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 p -65.44 138.64 22.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 120.415 1.462 . . . . 0.0 109.614 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.63 128.39 37.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -87.84 136.36 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -111.82 168.5 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.851 1.26 . . . . 0.0 108.902 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.09 -20.62 64.22 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.69 57.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 126.504 2.002 . . . . 0.0 112.823 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -87.42 -162.2 0.78 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.43 135.11 14.46 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -120.2 -178.58 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.829 1.252 . . . . 0.0 111.733 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.35 132.01 22.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.004 1.722 . . . . 0.0 106.787 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.95 117.43 32.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.097 1.359 . . . . 0.0 109.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.03 158.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -47.39 -56.59 6.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.25 1.42 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -77.68 147.22 35.59 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.43 95.15 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.07 2.148 . . . . 0.0 111.379 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -164.01 162.82 23.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.616 2.766 . . . . 0.0 106.284 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.82 128.82 23.56 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.821 1.248 . . . . 0.0 109.201 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -131.92 165.71 23.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.665 1.221 . . . . 0.0 110.495 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.85 145.3 24.49 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.76 -38.8 85.1 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -54.99 40.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.016 1.408 . . . . 0.0 111.567 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 90.4 m -74.93 -28.44 60.6 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.281 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -68.19 -27.86 66.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.187 1.358 . . . . 0.0 109.085 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.02 -33.87 58.39 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.812 0.845 . . . . 0.0 110.813 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.15 -36.03 82.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.572 1.149 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.1 t -69.56 -31.75 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.427 1.491 . . . . 0.0 110.307 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 m -93.25 -20.97 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.111 0.869 . . . . 0.0 110.917 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 m -58.81 150.82 22.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.595 0.758 . . . . 0.0 109.59 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.84 -126.28 7.03 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.44 81.62 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 122.613 2.209 . . . . 0.0 111.159 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 t -78.0 155.74 30.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.8 m -78.23 67.24 4.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.431 -0.793 . . . . 0.0 110.617 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 -179.584 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.906 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -147.22 145.76 29.57 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.809 -0.818 . . . . 0.0 109.93 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 p -172.25 164.15 5.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 126.373 1.869 . . . . 0.0 108.089 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 150.31 7.47 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -151.96 -176.2 5.55 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.826 0.85 . . . . 0.0 109.676 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -140.38 -97.21 0.15 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.38 151.94 12.72 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 124.255 0.931 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -167.3 169.82 12.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.376 2.27 . . . . 0.0 106.609 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 47.12 46.26 16.22 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.915 1.686 . . . . 0.0 111.52 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -76.1 -38.51 56.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.444 1.498 . . . . 0.0 111.367 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -67.65 169.18 9.86 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 119.245 0.93 . . . . 0.0 111.273 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.9 176.27 47.87 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 122.606 1.114 . . . . 0.0 113.521 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -98.55 -176.45 3.38 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.039 1.735 . . . . 0.0 106.383 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -87.35 54.97 3.33 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.2 -169.7 43.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 125.638 1.59 . . . . 0.0 111.753 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.75 138.27 54.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -129.19 153.89 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.845 -0.534 . . . . 0.0 110.9 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.24 110.38 9.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 102.995 -2.965 . . . . 0.0 102.995 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -47.97 -42.47 27.81 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 124.528 1.142 . . . . 0.0 109.212 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -54.95 2.31 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.488 1.994 . . . . 0.0 112.17 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.372 0.7 OUTLIER -116.97 0.74 12.5 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.753 1.276 . . . . 0.0 114.207 178.44 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.28 -2.58 2.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.655 1.982 . . . . 0.0 114.035 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -89.97 151.09 21.86 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.426 -0.796 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.99 169.1 5.62 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 129.664 3.186 . . . . 0.0 110.455 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.93 154.65 49.04 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.398 1.479 . . . . 0.0 110.501 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -129.89 -8.59 4.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.387 1.075 . . . . 0.0 110.04 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.54 -163.01 18.62 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.832 2.158 . . . . 0.0 112.981 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -73.62 169.51 22.18 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 124.162 3.242 . . . . 0.0 111.268 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -143.51 173.7 11.41 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.209 1.003 . . . . 0.0 111.647 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.7 mtp -136.26 163.97 29.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.156 1.782 . . . . 0.0 107.054 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.23 129.48 67.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.387 0.675 . . . . 0.0 110.341 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.36 147.53 27.02 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.243 1.417 . . . . 0.0 108.764 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.46 54.52 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.249 -1.306 . . . . 0.0 112.64 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.32 11.0 pt-20 57.84 21.46 7.57 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.892 1.677 . . . . 0.0 112.275 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -111.18 -178.3 3.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.762 2.025 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 124.66 41.88 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.844 1.657 . . . . 0.0 107.748 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -138.8 169.97 16.83 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.072 0.949 . . . . 0.0 112.509 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -91.01 150.57 42.04 Favored Pre-proline 0 N--CA 1.47 0.542 0 CA-C-O 117.856 -1.069 . . . . 0.0 108.717 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.69 -38.63 48.63 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.573 2.182 . . . . 0.0 109.426 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -72.08 9.32 0.99 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.894 1.677 . . . . 0.0 112.36 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.07 15.54 2.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.606 1.162 . . . . 0.0 113.659 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -111.62 85.11 2.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.18 13.04 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.121 -0.987 . . . . 0.0 111.758 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.0 t -85.46 124.37 31.97 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 116.702 -1.618 . . . . 0.0 106.952 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.3 tpp -57.92 -54.23 49.22 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.146 1.794 . . . . 0.0 109.206 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.65 -16.51 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 130.113 3.365 . . . . 0.0 115.896 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -140.44 -11.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 113.604 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 65.59 1.94 1.89 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.82 2.848 . . . . 0.0 114.75 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG1' ' SG ' ' A' ' 47' ' ' CYS . 4.1 p -66.37 144.21 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 110.226 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -78.89 133.51 29.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.88 156.86 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -113.2 166.48 11.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.362 1.065 . . . . 0.0 109.377 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -67.26 -12.15 59.35 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.1 12.59 19.72 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.169 1.366 . . . . 0.0 111.257 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.65 165.1 11.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.315 1.058 . . . . 0.0 110.673 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.93 122.59 26.32 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 125.184 1.394 . . . . 0.0 112.21 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -142.87 166.49 24.5 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.501 1.121 . . . . 0.0 110.587 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.41 116.41 6.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.4 142.71 27.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.72 160.14 41.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 127.339 2.256 . . . . 0.0 107.455 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -51.85 171.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.031 0.933 . . . . 0.0 110.282 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 56.15 29.39 14.6 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.199 -0.938 . . . . 0.0 108.483 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 46.64 19.07 0.07 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.581 3.152 . . . . 0.0 114.226 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 125.1 25.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 tp -108.68 125.84 52.33 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.281 1.833 . . . . 0.0 110.353 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -122.92 166.82 14.42 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.462 1.105 . . . . 0.0 109.689 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.38 148.72 22.11 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.28 -41.97 24.48 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 118.698 0.681 . . . . 0.0 113.693 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.02 -59.78 2.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 122.908 1.337 . . . . 0.0 112.444 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.306 63.8 m -65.02 -13.52 58.1 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 126.548 1.939 . . . . 0.0 111.735 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -87.48 -49.81 6.96 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -52.3 -36.84 54.11 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.658 1.183 . . . . 0.0 111.263 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -55.96 -33.49 64.83 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.469 1.908 . . . . 0.0 111.826 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.3 t -77.39 -64.99 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.85 1.26 . . . . 0.0 108.625 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.65 -37.76 20.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.048 0.939 . . . . 0.0 113.057 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -79.77 55.29 2.01 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.294 0.569 . . . . 0.0 112.22 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.75 -172.26 27.81 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 127.15 2.31 . . . . 0.0 109.25 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.44 113.99 3.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.073 2.515 . . . . 0.0 108.658 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.9 p -43.59 152.22 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.469 1.508 . . . . 0.0 114.24 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 m -121.94 166.83 13.85 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.345 1.058 . . . . 0.0 111.593 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 C-N-CA 124.594 1.092 . . . . 0.0 110.963 179.331 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.524 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -153.06 154.09 34.18 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 108.685 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -165.07 109.11 0.88 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.733 -0.605 . . . . 0.0 109.878 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.04 146.29 33.34 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -157.77 100.06 1.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 118.26 1.03 . . . . 0.0 109.072 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -110.82 -21.26 12.15 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.727 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.57 101.8 0.08 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 137.45 11.23 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -157.86 147.76 20.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.788 1.635 . . . . 0.0 107.378 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -154.06 161.3 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.863 1.265 . . . . 0.0 108.356 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -91.87 -1.92 57.09 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.109 2.164 . . . . 0.0 114.661 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.11 75.46 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 126.275 1.893 . . . . 0.0 117.005 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -85.03 -44.12 13.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.784 1.292 . . . . 0.0 111.249 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -66.36 -56.08 12.81 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.28 -172.54 14.43 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.704 1.621 . . . . 0.0 114.315 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -121.25 138.5 54.2 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.941 1.696 . . . . 0.0 110.239 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.18 148.89 25.22 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.21 -0.931 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 4.5 t -70.82 110.29 5.5 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -51.52 -35.14 39.23 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.499 1.5 . . . . 0.0 110.922 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.66 -33.24 48.18 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.291 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -131.4 -5.02 3.78 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 m 62.57 25.78 15.33 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.171 1.351 . . . . 0.0 112.991 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 mt -111.81 146.74 37.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.899 1.28 . . . . 0.0 108.25 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.7 159.99 32.48 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.136 1.374 . . . . 0.0 112.036 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -123.32 146.52 47.85 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.611 1.164 . . . . 0.0 110.982 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.26 62.28 1.66 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 127.335 2.254 . . . . 0.0 106.029 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.7 170.21 26.09 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.359 0.98 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.27 169.46 15.31 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 124.722 3.615 . . . . 0.0 113.125 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.98 173.05 12.22 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.944 1.698 . . . . 0.0 110.111 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -94.56 142.32 27.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.877 1.671 . . . . 0.0 107.419 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.5 t -103.77 126.93 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 120.477 1.49 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.17 170.13 5.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.203 1.401 . . . . 0.0 110.523 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.44 32.57 30.83 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.041 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 53.54 12.6 0.39 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.586 2.355 . . . . 0.0 115.563 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.87 -148.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.801 1.182 . . . . 0.0 110.29 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -143.31 132.04 22.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.025 1.73 . . . . 0.0 106.967 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -132.16 150.24 52.2 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 123.966 0.906 . . . . 0.0 109.477 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' CD2' ' HB2' ' A' ' 18' ' ' CYS . 26.4 m170 -66.71 150.52 97.49 Favored Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 116.705 -1.998 . . . . 0.0 109.597 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.23 -40.27 83.85 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.907 3.071 . . . . 0.0 112.326 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.24 -4.19 46.54 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.031 -1.043 . . . . 0.0 113.454 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.11 11.15 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.722 1.209 . . . . 0.0 112.96 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -105.81 87.33 2.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.85 168.09 24.72 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.418 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.7 t -66.73 123.77 21.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -35.65 63.98 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -11.42 55.36 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -136.05 -10.0 2.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.886 1.675 . . . . 0.0 114.792 -178.667 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.266 0.5 OUTLIER 62.88 3.48 1.22 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.796 2.038 . . . . 0.0 115.287 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.64 134.31 30.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.25 142.92 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -103.55 106.86 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.98 159.46 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.02 0.528 . . . . 0.0 111.194 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.59 70.54 4.96 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.502 1.144 . . . . 0.0 107.948 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 -31.62 0.07 OUTLIER Glycine 0 CA--C 1.527 0.827 0 C-N-CA 128.136 2.779 . . . . 0.0 109.996 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.56 137.76 41.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.088 0.944 . . . . 0.0 108.87 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.46 139.63 53.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.794 1.637 . . . . 0.0 111.201 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.99 -177.31 4.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.884 1.673 . . . . 0.0 109.521 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.43 146.4 29.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 127.708 2.403 . . . . 0.0 105.954 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.59 121.39 42.45 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.95 158.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.568 1.147 . . . . 0.0 108.002 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -50.16 -35.1 24.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.931 1.292 . . . . 0.0 113.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.77 150.74 20.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.719 0.808 . . . . 0.0 109.713 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.1 68.53 0.12 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.862 1.665 . . . . 0.0 113.824 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -153.14 141.02 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.65 146.59 33.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.04 0.936 . . . . 0.0 111.314 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -130.6 162.91 28.29 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.097 1.359 . . . . 0.0 108.392 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.07 154.27 18.21 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.5 -47.27 44.96 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.65 0.659 . . . . 0.0 112.983 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.23 -52.93 60.2 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.96 1.38 . . . . 0.0 110.34 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.52 -33.89 73.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.631 1.173 . . . . 0.0 112.44 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -68.89 -18.17 64.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.398 1.454 . . . . 0.0 110.434 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -89.13 -30.47 18.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.79 -26.86 66.31 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.914 -1.116 . . . . 0.0 111.245 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.91 -10.84 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 O-C-N 121.151 -0.968 . . . . 0.0 112.011 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -51.89 7.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.502 1.046 . . . . 0.0 108.591 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.1 m -49.81 113.6 0.88 Allowed 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.262 1.425 . . . . 0.0 112.744 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.13 -94.13 0.1 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.045 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.75 164.18 36.41 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.451 2.767 . . . . 0.0 111.775 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.8 t -77.22 154.36 33.13 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -144.86 33.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.369 1.468 . . . . 0.0 108.249 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 N-CA-C 105.196 -3.162 . . . . 0.0 105.196 -178.528 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 109.167 -1.573 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.47 139.31 54.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.527 1.156 . . . . 0.0 108.5 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.13 144.07 51.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.825 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 8.6 t -65.17 121.08 13.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -45.51 -47.21 14.21 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.023 0.829 . . . . 0.0 110.776 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -30.84 76.97 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 117.942 -1.477 . . . . 0.0 116.024 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 16.4 p -118.54 -9.59 10.26 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.863 2.332 . . . . 0.0 115.228 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 63.94 2.76 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.624 1.97 . . . . 0.0 111.586 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.69 142.12 31.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 120.452 1.478 . . . . 0.0 108.013 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.97 140.27 58.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.393 2.277 . . . . 0.0 109.249 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -115.72 168.11 10.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.862 0.865 . . . . 0.0 109.01 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -143.87 -37.36 0.33 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.87 -153.22 12.68 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.138 1.828 . . . . 0.0 111.425 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.21 159.63 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.035 1.824 . . . . 0.0 109.936 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -149.78 172.94 14.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.379 1.472 . . . . 0.0 108.687 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.3 mtp -122.53 146.52 47.33 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.54 128.68 66.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.95 157.91 10.19 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.574 2.349 . . . . 0.0 107.923 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.31 31.94 35.94 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 117.764 -1.575 . . . . 0.0 113.506 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.316 13.5 pt-20 55.31 22.49 4.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.63 1.972 . . . . 0.0 114.579 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 -173.88 2.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.24 1.416 . . . . 0.0 108.037 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -140.83 139.85 34.57 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.204 1.401 . . . . 0.0 107.426 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -146.23 155.55 42.76 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -65.45 154.82 87.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -66.03 -5.3 11.9 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.933 3.088 . . . . 0.0 113.365 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.293 73.8 mt-10 -108.73 -2.3 18.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.735 2.814 . . . . 0.0 113.159 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.272 58.6 m -123.08 15.76 9.92 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -103.73 92.87 4.62 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 100.576 -3.861 . . . . 0.0 100.576 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.67 161.7 35.78 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.1 t -63.79 124.34 21.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.3 -59.76 3.41 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.747 0.654 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -50.02 72.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -93.89 -13.44 27.18 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 -176.346 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 69.48 8.24 6.66 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG12 ' SG ' ' A' ' 47' ' ' CYS . 12.3 p -64.89 136.74 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -79.87 131.67 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.32 140.52 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -111.96 169.62 8.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.664 1.585 . . . . 0.0 108.848 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.27 77.26 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.203 1.801 . . . . 0.0 112.68 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.66 -27.8 1.32 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 118.544 -1.142 . . . . 0.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.09 130.7 42.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.502 1.651 . . . . 0.0 109.388 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 103.42 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.639 2.376 . . . . 0.0 115.153 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -94.43 169.97 9.82 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.55 30.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.3 mt -114.72 156.12 25.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.809 1.244 . . . . 0.0 110.757 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.31 158.53 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.85 1.66 . . . . 0.0 108.56 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -63.28 -14.33 48.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.513 1.525 . . . . 0.0 111.192 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -116.16 174.3 6.12 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.317 2.247 . . . . 0.0 107.432 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.2 84.43 0.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.878 0.871 . . . . 0.0 109.104 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 154.35 27.69 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.344 -1.473 . . . . 0.0 107.525 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 tp -141.73 135.22 29.57 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.183 0.993 . . . . 0.0 108.338 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -131.47 173.93 10.59 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.128 0.971 . . . . 0.0 109.729 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.54 150.58 20.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.15 -38.15 88.72 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.505 1.502 . . . . 0.0 112.756 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -61.25 -42.46 98.67 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.241 -1.152 . . . . 0.0 113.271 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.53 -30.02 15.22 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.266 1.826 . . . . 0.0 114.967 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -64.45 -14.11 55.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.651 1.569 . . . . 0.0 108.932 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -50.34 -34.43 23.83 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 129.141 2.977 . . . . 0.0 109.59 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.44 -32.7 64.52 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.762 0.825 . . . . 0.0 112.392 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--O 1.233 0.195 0 C-N-CA 125.226 1.411 . . . . 0.0 110.969 -178.922 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -85.9 140.95 29.93 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.506 1.522 . . . . 0.0 109.47 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -129.1 155.8 44.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 112.157 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.556 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 14.4 t -76.33 102.91 6.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -49.19 -41.45 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.941 1.246 . . . . 0.0 109.942 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.05 -31.65 40.81 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 118.305 -1.275 . . . . 0.0 113.983 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 p -122.81 -9.33 8.35 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.428 1.614 . . . . 0.0 114.119 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 67.14 32.69 6.0 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.163 0.985 . . . . 0.0 111.37 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -127.03 143.65 51.23 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.552 -1.342 . . . . 0.0 110.703 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 tp -66.81 139.09 57.76 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 129.37 3.068 . . . . 0.0 110.754 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.19 13.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.976 0.807 . . . . 0.0 108.999 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -134.91 8.93 3.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.841 1.656 . . . . 0.0 110.252 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.65 -168.65 11.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.757 2.598 . . . . 0.0 108.642 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.69 163.19 31.3 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.949 1.766 . . . . 0.0 111.433 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -132.76 173.85 10.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.88 2.072 . . . . 0.0 109.241 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.52 134.57 54.69 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -111.96 128.94 68.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.79 135.17 15.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 123.567 0.747 . . . . 0.0 109.006 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.12 24.18 34.92 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.269 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 82.21 -0.96 1.44 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.601 3.16 . . . . 0.0 112.14 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.79 173.7 7.86 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.329 1.452 . . . . 0.0 109.733 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -133.78 122.9 23.96 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.549 0.739 . . . . 0.0 110.031 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -140.8 149.95 42.7 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.221 0.609 . . . . 0.0 111.534 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 28.3 m170 -70.65 147.85 94.76 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.25 -36.08 92.63 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 CA-C-N 121.658 1.628 . . . . 0.0 112.447 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.19 -13.03 45.97 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.452 -1.405 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.39 -8.38 21.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 112.172 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -96.77 86.6 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.49 160.16 39.91 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.15 0.98 . . . . 0.0 111.348 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 45.1 t -68.12 123.57 21.04 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 104.033 -2.581 . . . . 0.0 104.033 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 35.7 ttp -54.46 -31.08 54.89 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.02 1.282 . . . . 0.0 113.835 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -86.26 -59.31 2.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 122.521 0.329 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.1 p -81.63 -10.86 59.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 116.787 2.143 . . . . 0.0 116.787 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.38 -1.62 1.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.038 2.135 . . . . 0.0 115.008 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.1 p -64.52 139.62 21.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.25 141.49 16.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mm -95.76 163.67 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' ' HB3' ' A' ' 55' ' ' ASP . 12.9 mt-10 -132.63 165.66 23.94 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.746 1.218 . . . . 0.0 109.845 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.63 -13.35 62.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -114.98 17.26 17.59 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.255 2.36 . . . . 0.0 111.112 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 19.2 t0 -113.87 157.16 22.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.569 1.685 . . . . 0.0 109.408 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 127.39 33.44 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.642 0.777 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -137.41 156.96 47.57 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.461 1.104 . . . . 0.0 108.563 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.12 128.37 20.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.72 156.41 17.06 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.18 157.99 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -55.98 -34.19 65.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.528 1.131 . . . . 0.0 109.962 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -88.57 178.86 6.4 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.425 1.49 . . . . 0.0 109.725 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 81.44 2.06 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.7 m -158.49 141.01 14.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.155 1.382 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.11 119.06 23.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.912 2.085 . . . . 0.0 105.899 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -112.24 167.71 10.2 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.002 1.321 . . . . 0.0 108.848 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.38 155.13 17.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.92 -42.71 96.89 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 119.406 1.003 . . . . 0.0 110.668 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.49 -23.44 64.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.721 0.808 . . . . 0.0 111.688 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.15 -49.7 5.86 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 126.571 1.949 . . . . 0.0 111.352 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -58.76 -22.1 57.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.158 1.345 . . . . 0.0 110.123 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.26 -18.6 61.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.782 2.033 . . . . 0.0 110.667 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.9 -15.69 31.57 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.302 2.241 . . . . 0.0 111.681 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.38 0 O-C-N 121.019 -1.051 . . . . 0.0 110.914 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -83.41 160.91 21.49 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 122.773 1.273 . . . . 0.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -128.44 138.64 52.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.614 1.566 . . . . 0.0 109.777 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t -76.82 106.33 8.42 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -55.42 -45.83 76.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.78 -65.59 1.34 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.482 1.515 . . . . 0.0 110.779 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 31.5 p -82.44 -13.04 57.43 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 t 69.36 39.17 1.69 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.307 1.443 . . . . 0.0 109.03 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 mt -138.25 146.16 42.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.87 1.268 . . . . 0.0 110.592 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.32 135.12 57.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.462 3.105 . . . . 0.0 112.827 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptp -91.6 155.75 18.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.157 0.889 . . . . 0.0 108.704 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.53 -56.54 1.01 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.781 0.832 . . . . 0.0 111.487 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.78 -153.78 8.56 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.803 1.192 . . . . 0.0 110.85 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -68.09 169.48 16.5 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.206 1.938 . . . . 0.0 110.17 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 43.4 p90 -140.71 173.73 11.21 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 126.709 2.004 . . . . 0.0 109.104 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.94 155.91 43.49 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -130.36 130.89 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 125.54 1.536 . . . . 0.0 111.622 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.36 143.92 22.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 128.45 2.7 . . . . 0.0 105.49 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.0 13.04 6.07 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 117.667 -1.63 . . . . 0.0 115.299 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 84.04 6.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.751 2.82 . . . . 0.0 113.272 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.59 -175.72 4.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.05 1.34 . . . . 0.0 110.552 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -137.56 134.61 35.83 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 125.844 1.658 . . . . 0.0 106.733 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -148.55 158.15 43.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.619 1.1 . . . . 0.0 110.85 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -67.89 150.69 97.68 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 115.874 -2.33 . . . . 0.0 106.281 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 44.3 Cg_endo -65.77 -40.22 17.86 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.863 2.375 . . . . 0.0 113.493 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -3.44 9.21 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.534 1.061 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.03 -2.63 27.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.906 0.882 . . . . 0.0 112.249 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.3 87.35 7.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 101.639 -3.467 . . . . 0.0 101.639 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.2 158.81 44.29 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.468 1.107 . . . . 0.0 111.786 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.6 t -74.15 123.7 24.95 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -60.69 -40.24 91.47 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.2 2.273 . . . . 0.0 112.893 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.18 89.61 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 126.794 2.038 . . . . 0.0 115.779 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.4 p -112.25 -9.62 13.89 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 63.24 1.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 128.452 2.701 . . . . 0.0 116.001 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.3 p -69.5 140.3 18.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 119.841 1.2 . . . . 0.0 109.483 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.16 144.93 12.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 105.296 -2.112 . . . . 0.0 105.296 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -106.35 139.48 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.66 169.43 8.64 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.18 -24.49 54.8 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.367 1.467 . . . . 0.0 113.022 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.31 -14.37 38.85 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.251 1.882 . . . . 0.0 114.95 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.86 168.18 15.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.92 2.36 . . . . 0.0 112.516 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.68 99.0 11.75 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.403 1.481 . . . . 0.0 113.549 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -87.91 174.15 8.5 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.524 0.73 . . . . 0.0 109.23 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.51 124.69 6.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -110.09 156.6 20.34 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.989 1.316 . . . . 0.0 107.547 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.71 159.74 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 107.086 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -45.03 -48.33 11.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.077 1.751 . . . . 0.0 110.646 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -79.85 158.94 26.63 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.192 1.397 . . . . 0.0 109.101 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.66 76.1 0.19 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.608 1.163 . . . . 0.0 112.17 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -149.86 142.64 24.68 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.793 -1.192 . . . . 0.0 108.067 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.89 139.1 54.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.912 1.285 . . . . 0.0 111.592 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -137.0 171.37 14.61 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.119 1.768 . . . . 0.0 111.462 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -94.56 158.05 15.71 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.3 -44.09 93.51 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.317 0.962 . . . . 0.0 112.847 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -61.01 -40.14 92.43 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.96 1.38 . . . . 0.0 112.073 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.42 -46.06 70.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 109.545 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -60.29 -37.87 81.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.823 0.738 . . . . 0.0 110.807 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -57.77 -24.04 55.22 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.231 1.412 . . . . 0.0 112.105 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -100.11 -25.11 14.4 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.703 0.801 . . . . 0.0 110.972 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.464 0.257 0 O-C-N 121.218 -0.927 . . . . 0.0 110.323 179.521 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 CA-C-O 122.027 0.793 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -85.15 137.36 33.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.746 1.618 . . . . 0.0 111.548 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.68 154.98 45.75 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.209 2.204 . . . . 0.0 107.069 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.0 t -65.6 113.36 4.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.5 21.95 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.85 2.46 . . . . 0.0 114.806 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.93 -47.51 0.18 Allowed Glycine 0 CA--C 1.526 0.726 0 C-N-CA 127.331 2.396 . . . . 0.0 108.08 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.8 p -104.7 -6.32 20.5 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m 62.54 30.98 17.15 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.033 1.288 . . . . 0.0 112.843 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -121.89 144.79 48.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.031 1.333 . . . . 0.0 107.539 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 tp -54.53 157.99 2.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.498 2.719 . . . . 0.0 112.539 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 ptp -112.55 151.4 30.06 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 126.075 1.75 . . . . 0.0 108.55 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.3 p -127.36 -70.68 0.7 Allowed 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.75 -169.74 15.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.257 1.408 . . . . 0.0 110.13 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.2 165.64 16.63 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.117 1.878 . . . . 0.0 112.107 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -128.94 156.63 43.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.262 1.425 . . . . 0.0 108.7 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.51 123.85 36.12 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -103.57 129.63 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.382 1.473 . . . . 0.0 107.148 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.78 134.35 15.44 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.75 32.08 39.5 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.492 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 76.52 -1.83 2.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.996 2.118 . . . . 0.0 113.126 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -85.23 -176.51 6.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.329 1.422 . . . . 0.0 111.642 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -145.76 132.7 20.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.422 1.489 . . . . 0.0 108.446 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -150.6 156.72 41.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.659 1.583 . . . . 0.0 108.646 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 33.7 m170 -71.36 148.17 93.35 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 116.918 -1.913 . . . . 0.0 106.074 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.83 -46.7 27.53 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.362 2.708 . . . . 0.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.61 -3.51 1.08 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.343 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.1 m -129.9 20.36 5.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.532 1.533 . . . . 0.0 112.77 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.91 88.95 3.03 Favored 'General case' 0 N--CA 1.448 -0.57 1 N-CA-C 98.508 -4.627 . . . . 0.0 98.508 176.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.32 159.59 42.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.87 0.868 . . . . 0.0 112.379 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.52 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.5 t -63.7 124.71 22.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.492 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 47.8 tpp -51.46 -46.18 62.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.676 1.125 . . . . 0.0 110.609 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -60.75 -20.42 61.27 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.672 ' SG ' HG12 ' A' ' 49' ' ' VAL . 17.8 p -142.43 -8.37 0.87 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? 62.16 9.95 3.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.346 1.858 . . . . 0.0 114.122 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.672 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.8 p -76.0 138.55 20.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -58.5 151.03 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.23 0.956 . . . . 0.0 110.652 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.09 104.85 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 103.938 -2.616 . . . . 0.0 103.938 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -80.37 177.27 9.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.868 0.842 . . . . 0.0 110.577 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.24 3.81 0.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.243 1.817 . . . . 0.0 114.254 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.07 -0.98 2.38 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.478 1.513 . . . . 0.0 113.921 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 161.62 30.64 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.257 1.528 . . . . 0.0 113.671 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.84 109.71 15.66 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -135.7 171.09 14.96 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.38 145.0 27.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.17 1.788 . . . . 0.0 109.755 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 102.91 9.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.96 136.08 25.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 124.328 1.051 . . . . 0.0 108.412 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 43.61 33.36 0.66 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.735 2.414 . . . . 0.0 113.341 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 p80 38.99 39.91 0.41 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.859 2.064 . . . . 0.0 112.626 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.61 -16.55 0.32 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -133.58 144.07 49.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.924 1.238 . . . . 0.0 110.138 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -108.99 137.76 46.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.828 1.251 . . . . 0.0 111.561 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -136.02 161.38 35.84 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.762 1.225 . . . . 0.0 112.14 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.6 OUTLIER -93.97 156.72 16.46 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.023 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.84 -44.61 92.08 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.16 0.891 . . . . 0.0 112.195 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.79 -36.85 75.12 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.64 1.22 . . . . 0.0 111.994 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.46 -49.21 15.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.411 1.484 . . . . 0.0 110.378 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -56.87 -35.43 68.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.594 0.633 . . . . 0.0 110.717 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -60.15 -32.89 71.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.867 1.667 . . . . 0.0 112.057 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.38 -32.05 73.5 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.024 1.33 . . . . 0.0 112.193 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 CA--C 1.533 0.322 0 C-N-CA 123.922 0.889 . . . . 0.0 109.029 -179.557 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 121.318 0.399 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -95.94 108.89 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.516 1.527 . . . . 0.0 109.424 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.03 150.75 39.43 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.431 1.093 . . . . 0.0 108.626 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 34.5 t -75.47 110.29 9.72 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -46.68 -45.72 19.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.386 0.994 . . . . 0.0 112.197 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.23 33.45 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.136 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -101.22 -16.1 17.11 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 75.88 8.21 3.61 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.685 1.594 . . . . 0.0 110.856 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -106.06 150.63 25.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.595 1.558 . . . . 0.0 111.517 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.62 168.73 12.46 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 129.325 3.05 . . . . 0.0 113.103 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.82 164.39 30.22 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.561 1.944 . . . . 0.0 107.89 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.6 p -125.66 -50.25 1.62 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.388 1.075 . . . . 0.0 108.537 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.2 -157.39 6.12 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 126.296 1.903 . . . . 0.0 111.63 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -68.81 169.11 18.4 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.546 2.164 . . . . 0.0 112.765 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 8.5 p90 -147.53 172.68 13.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.007 2.123 . . . . 0.0 108.536 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 48.2 tpp -118.29 147.19 43.7 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -133.79 138.5 50.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 125.949 1.699 . . . . 0.0 109.352 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.99 143.74 9.51 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.633 1.973 . . . . 0.0 105.805 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.44 25.39 34.11 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.578 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 75.68 6.22 3.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.298 2.239 . . . . 0.0 111.915 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.13 174.3 8.33 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.642 -1.286 . . . . 0.0 112.099 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -135.6 122.75 21.57 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.705 -1.247 . . . . 0.0 108.213 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.03 156.17 47.41 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 24.3 m170 -71.27 155.14 93.33 Favored Pre-proline 0 N--CA 1.471 0.586 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.908 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.88 -15.81 40.69 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.305 2.67 . . . . 0.0 112.549 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.92 8.86 44.56 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.602 1.161 . . . . 0.0 111.066 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.8 m -133.5 -18.66 2.18 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.479 ' CD2' ' HG2' ' A' ' 30' ' ' MET . 69.0 t80 -73.78 99.87 3.28 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.18 21.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.7 t -65.67 123.56 20.04 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.74 -34.31 74.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.525 1.966 . . . . 0.0 113.222 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -73.91 -24.8 59.74 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.742 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -124.4 -11.37 7.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -177.189 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 66.57 4.24 3.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.047 2.139 . . . . 0.0 114.777 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.742 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.7 p -76.94 136.91 23.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 121.48 1.946 . . . . 0.0 107.487 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.89 147.54 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.623 1.202 . . . . 0.0 108.975 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.26 97.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 102.706 -3.072 . . . . 0.0 102.706 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.74 160.84 24.88 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.451 1.501 . . . . 0.0 111.324 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.36 106.17 2.41 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.48 -17.29 6.17 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.908 1.718 . . . . 0.0 112.091 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.67 -174.5 3.92 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.702 1.251 . . . . 0.0 108.238 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.9 111.62 14.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 119.924 -1.735 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.37 -172.43 4.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 108.846 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.89 109.55 5.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 103.093 -2.929 . . . . 0.0 103.093 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.96 108.72 21.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.07 157.48 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.898 1.679 . . . . 0.0 107.125 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.61 -33.23 71.22 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.107 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -79.09 150.27 31.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 59.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.688 0.795 . . . . 0.0 110.779 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.7 m -140.17 118.66 12.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 128.739 2.816 . . . . 0.0 103.484 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.75 152.53 24.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.924 0.89 . . . . 0.0 111.825 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.54 173.9 11.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.098 0.559 . . . . 0.0 111.59 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.44 147.7 22.72 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.35 74.94 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.297 0.953 . . . . 0.0 112.719 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -64.03 -32.14 73.58 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.994 1.397 . . . . 0.0 112.37 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.76 -40.68 20.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.098 0.959 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -66.38 -21.17 66.23 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.156 0.889 . . . . 0.0 109.296 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.45 -36.49 80.54 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 121.128 -0.983 . . . . 0.0 108.853 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.29 -33.22 63.17 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.441 0.696 . . . . 0.0 110.223 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.029 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -113.72 149.73 34.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.051 0.929 . . . . 0.0 110.268 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -127.77 151.91 48.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.887 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 24.4 t -63.88 117.51 7.07 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.49 -25.58 26.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.858 1.208 . . . . 0.0 110.677 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.39 -25.37 63.59 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 117.271 -1.85 . . . . 0.0 113.907 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 p -131.24 0.25 4.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 35.9 p 61.74 4.36 1.06 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.78 1.632 . . . . 0.0 114.1 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -94.79 149.1 21.59 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.517 -1.364 . . . . 0.0 108.536 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.8 159.52 30.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 129.291 3.036 . . . . 0.0 114.843 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 149.6 52.49 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.597 2.359 . . . . 0.0 105.3 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -133.58 -18.1 2.21 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.91 -148.09 16.05 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -71.49 157.19 56.88 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 121.654 1.57 . . . . 0.0 111.206 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -150.16 153.97 37.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.284 2.234 . . . . 0.0 106.333 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 40.8 tpp -91.68 142.37 27.69 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.35 128.69 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -170.68 154.91 4.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.303 1.041 . . . . 0.0 108.459 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.79 30.04 35.18 Favored Glycine 0 C--O 1.222 -0.644 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.715 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.27 23.2 pt-20 53.9 20.78 2.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.295 1.838 . . . . 0.0 114.392 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -123.6 -174.11 2.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.472 1.509 . . . . 0.0 109.237 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -128.82 130.17 46.61 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.139 0.976 . . . . 0.0 108.439 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -139.7 151.12 45.62 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 121.067 -1.02 . . . . 0.0 110.736 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 15.6 m170 -64.66 144.44 98.77 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.7 -36.54 51.61 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 CA-C-N 120.032 1.047 . . . . 0.0 112.083 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.67 2.63 7.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.438 1.095 . . . . 0.0 113.443 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.5 3.96 11.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.821 1.249 . . . . 0.0 110.735 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -87.26 98.11 11.15 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.83 158.2 39.04 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 32.0 t -63.8 124.68 22.12 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 117.533 -1.222 . . . . 0.0 107.74 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.4 mtp -56.99 -44.71 82.99 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.387 0.994 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m -67.18 -17.28 64.77 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.9 p -136.16 -7.89 2.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 50.08 65.21 1.5 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.268 1.427 . . . . 0.0 111.794 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -122.47 126.7 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -66.84 124.15 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.39 148.01 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 104.743 -2.317 . . . . 0.0 104.743 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -133.91 179.79 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.282 1.833 . . . . 0.0 108.157 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.44 43.97 0.25 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.987 1.315 . . . . 0.0 109.291 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.41 13.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.658 0 CA-C-O 117.836 -1.536 . . . . 0.0 114.359 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -132.36 130.83 41.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 120.65 2.225 . . . . 0.0 105.754 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 140.68 58.86 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.576 0.751 . . . . 0.0 112.144 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -133.39 163.24 29.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.35 24.9 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 119.66 40.08 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -97.08 120.5 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 38.27 48.66 1.19 Allowed 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 128.182 2.593 . . . . 0.0 114.026 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.9 m170 44.82 44.97 8.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.684 1.194 . . . . 0.0 109.844 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.43 -38.66 0.2 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -123.49 143.41 50.19 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.273 1.852 . . . . 0.0 112.322 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.1 tp -108.41 118.32 36.45 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 125.64 1.576 . . . . 0.0 112.145 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.51 170.72 11.15 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.562 1.145 . . . . 0.0 109.425 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.12 158.29 15.85 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.89 -44.61 94.31 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -58.37 -44.81 89.02 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.454 1.127 . . . . 0.0 110.668 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.267 1.5 m -64.47 -48.52 74.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.08 1.352 . . . . 0.0 110.89 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.52 -28.79 70.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.004 0.82 . . . . 0.0 110.461 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.4 -30.97 48.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.91 1.284 . . . . 0.0 110.255 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.25 -39.53 22.9 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.059 1.343 . . . . 0.0 112.299 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 122.244 0.914 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -78.45 150.73 32.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 127.637 2.375 . . . . 0.0 108.269 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.34 151.46 48.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.019 -1.05 . . . . 0.0 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 7.2 t -72.27 104.39 3.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -40.6 -58.76 1.52 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.81 2.044 . . . . 0.0 111.177 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.51 53.75 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 117.499 -1.723 . . . . 0.0 116.051 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.3 p -113.57 -12.88 12.82 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.708 2.254 . . . . 0.0 116.715 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 65.3 47.8 2.29 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.72 1.145 . . . . 0.0 110.495 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -136.13 148.55 48.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.482 1.513 . . . . 0.0 108.278 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.03 156.12 29.1 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.35 1.86 . . . . 0.0 110.6 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -119.3 143.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.95 1.3 . . . . 0.0 108.271 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -116.29 -28.39 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.809 0.693 . . . . 0.0 109.313 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.61 177.2 21.2 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.236 1.398 . . . . 0.0 112.294 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.19 169.58 11.97 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 124.907 3.738 . . . . 0.0 113.229 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -149.92 173.22 14.04 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.914 1.286 . . . . 0.0 110.255 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 56.6 mtp -112.01 156.36 22.28 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.99 128.88 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 121.228 -0.92 . . . . 0.0 109.218 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.63 25.88 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.396 2.279 . . . . 0.0 107.307 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.64 33.99 35.02 Favored Glycine 0 C--O 1.221 -0.677 0 CA-C-O 117.368 -1.796 . . . . 0.0 114.443 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.288 2.1 pt-20 53.57 13.13 0.44 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.945 2.498 . . . . 0.0 116.616 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -122.56 168.32 12.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.442 1.474 . . . . 0.0 110.851 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -114.77 122.79 47.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.407 1.083 . . . . 0.0 110.222 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.99 160.59 30.63 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.528 1.131 . . . . 0.0 108.816 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 15.5 m80 -70.51 156.46 91.89 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.522 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.59 -6.43 16.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 124.188 3.259 . . . . 0.0 111.694 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -116.56 9.29 14.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.197 1.799 . . . . 0.0 111.336 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.7 m -143.47 40.99 1.46 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.938 1.295 . . . . 0.0 111.441 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -126.74 88.59 2.85 Favored 'General case' 0 C--N 1.324 -0.513 1 N-CA-C 98.571 -4.603 . . . . 0.0 98.571 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.35 163.36 33.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.89 123.46 19.03 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.919 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttm -57.61 -38.33 74.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.939 1.7 . . . . 0.0 112.258 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -73.77 -19.18 60.85 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.663 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -135.67 -5.8 2.22 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -179.019 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.78 3.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.18 2.192 . . . . 0.0 114.725 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -69.67 132.02 33.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 120.745 1.611 . . . . 0.0 108.474 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.2 mm -60.77 138.33 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.857 1.663 . . . . 0.0 109.368 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.88 123.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 103.36 -2.829 . . . . 0.0 103.36 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -116.34 173.3 6.67 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.182 1.793 . . . . 0.0 108.447 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.97 92.62 1.29 Allowed 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.32 -25.92 1.55 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.36 1.457 . . . . 0.0 111.185 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.48 145.65 26.16 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.08 119.35 24.38 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.744 -0.598 . . . . 0.0 111.75 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -95.7 164.71 12.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.684 1.193 . . . . 0.0 107.915 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.9 109.43 4.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.95 135.42 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -130.03 125.67 60.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.415 0.552 . . . . 0.0 109.921 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 34.35 44.65 0.11 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 129.422 3.089 . . . . 0.0 114.004 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p80 39.03 36.23 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.159 1.783 . . . . 0.0 113.01 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.64 -11.92 0.69 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.222 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -148.17 159.93 43.44 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.909 1.231 . . . . 0.0 108.891 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.0 tp -131.51 136.13 47.63 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.913 1.685 . . . . 0.0 108.224 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.58 175.33 9.52 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.347 1.459 . . . . 0.0 110.089 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.3 153.23 18.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.95 97.21 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.068 0.849 . . . . 0.0 112.703 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -65.63 -28.45 69.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.964 -1.315 . . . . 0.0 113.309 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.335 78.5 m -93.74 -31.67 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.126 0.97 . . . . 0.0 110.541 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -69.24 -25.66 64.4 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.8 -34.43 69.61 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.242 1.417 . . . . 0.0 110.554 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.61 -29.49 68.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.787 1.235 . . . . 0.0 111.048 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.232 0.154 0 C-N-CA 125.166 1.387 . . . . 0.0 109.421 -179.536 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.831 0 CA-C-O 122.229 0.905 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -84.03 145.13 28.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.779 0.832 . . . . 0.0 110.573 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -128.21 155.26 44.8 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.369 1.467 . . . . 0.0 110.627 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t -71.38 109.98 5.71 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -47.24 -39.34 14.03 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.663 1.185 . . . . 0.0 110.242 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 -34.76 78.13 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-O 116.663 -2.187 . . . . 0.0 116.037 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 15.1 p -116.2 -8.46 11.74 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 81.11 -16.12 0.67 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.809 1.64 . . . . 0.0 111.954 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.46 144.69 30.28 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.957 -1.09 . . . . 0.0 109.766 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.95 163.26 27.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.59 2.356 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.42 101.5 6.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.4 p -82.4 73.13 9.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.96 -151.52 23.15 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.6 169.3 14.62 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 123.389 2.726 . . . . 0.0 112.891 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -148.12 163.92 35.47 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 126.119 1.767 . . . . 0.0 109.798 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.4 ttt -113.65 140.78 47.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.13 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.72 134.84 14.9 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.016 1.726 . . . . 0.0 106.652 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.86 10.6 32.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.894 -0.948 . . . . 0.0 112.89 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 87.43 -9.48 0.59 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 130.155 3.382 . . . . 0.0 112.604 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.0 177.55 8.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.303 1.841 . . . . 0.0 109.814 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -137.9 129.44 28.07 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.171 0.896 . . . . 0.0 111.516 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -139.73 159.07 43.02 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.862 0.865 . . . . 0.0 111.668 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 21.8 m80 -68.27 149.38 98.11 Favored Pre-proline 0 N--CA 1.473 0.677 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.25 -51.39 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 123.823 3.015 . . . . 0.0 112.606 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.06 -42.64 90.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 122.27 1.033 . . . . 0.0 110.184 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.33 13.1 1.0 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -110.31 82.05 1.53 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 101.018 -3.697 . . . . 0.0 101.018 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.97 167.24 20.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 112.614 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.1 t -77.52 123.79 27.05 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.99 -49.76 76.4 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 120.395 1.452 . . . . 0.0 108.671 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -57.85 -22.85 50.03 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -137.46 -7.01 1.74 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.176 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 71.78 -7.85 1.19 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 128.743 2.817 . . . . 0.0 115.438 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.3 p -63.27 137.95 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 120.786 1.63 . . . . 0.0 110.256 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -70.83 147.36 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.833 1.653 . . . . 0.0 106.787 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -121.89 94.51 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.752 1.16 . . . . 0.0 108.577 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -78.12 172.09 14.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.305 1.042 . . . . 0.0 109.565 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -11.91 3.19 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.77 -17.43 44.65 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 118.038 -1.424 . . . . 0.0 114.866 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.51 140.19 39.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.838 1.819 . . . . 0.0 109.517 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.42 106.8 2.64 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.536 1.134 . . . . 0.0 113.375 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -85.74 -173.54 4.67 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.51 1.124 . . . . 0.0 108.322 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.79 152.31 34.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.98 99.49 4.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.18 130.72 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -55.91 -6.83 0.25 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.53 2.332 . . . . 0.0 114.524 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -67.76 -0.61 4.28 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.595 2.358 . . . . 0.0 113.112 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 80.09 7.86 1.56 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.742 2.817 . . . . 0.0 112.225 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -113.82 150.66 33.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.312 1.445 . . . . 0.0 109.233 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.85 141.39 40.97 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.364 1.465 . . . . 0.0 108.298 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.29 159.33 42.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.01 1.724 . . . . 0.0 110.017 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.13 157.39 16.31 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 102.311 -3.218 . . . . 0.0 102.311 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.37 -46.54 52.19 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 118.599 -1.112 . . . . 0.0 111.844 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.47 ' H ' ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.78 -51.06 70.95 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.985 1.392 . . . . 0.0 111.527 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.39 -38.41 86.97 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.265 1.026 . . . . 0.0 111.769 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -69.53 -39.15 77.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.69 -17.28 60.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.517 1.127 . . . . 0.0 111.743 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.56 -48.97 11.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.445 -0.784 . . . . 0.0 111.515 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 122.808 0.443 . . . . 0.0 112.176 -178.556 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.238 0 CA-C-O 122.067 0.815 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -139.19 166.44 24.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.281 1.832 . . . . 0.0 109.613 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -128.95 163.95 24.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.687 2.795 . . . . 0.0 109.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 41.4 t -69.55 112.83 6.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 116.616 -1.659 . . . . 0.0 108.134 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -64.83 19.8 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.182 1.793 . . . . 0.0 114.818 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -126.82 -36.16 0.53 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 128.939 3.161 . . . . 0.0 110.13 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.63 -2.7 7.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m 67.33 -3.35 1.05 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.573 1.949 . . . . 0.0 113.497 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.0 153.91 22.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 120.48 1.491 . . . . 0.0 108.313 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.31 158.64 36.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.136 2.175 . . . . 0.0 113.555 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -121.32 154.34 36.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 127.671 2.389 . . . . 0.0 106.202 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -143.05 -8.01 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.587 0.755 . . . . 0.0 112.448 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.31 -148.15 7.36 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.129 1.347 . . . . 0.0 111.173 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.02 165.68 29.3 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.048 1.832 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -147.93 173.45 12.85 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.16 1.784 . . . . 0.0 106.88 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 95.9 mtp -120.0 147.95 44.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -109.44 127.59 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.12 142.43 11.69 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.58 33.4 54.45 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.135 -1.37 . . . . 0.0 112.754 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.271 8.1 pt-20 60.28 -5.13 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.981 2.912 . . . . 0.0 115.887 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.52 -171.99 2.4 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.121 1.368 . . . . 0.0 111.236 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -134.0 138.59 45.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.219 1.407 . . . . 0.0 108.492 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -147.44 164.26 33.92 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.502 1.121 . . . . 0.0 108.674 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 26.7 m80 -63.89 154.35 81.55 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 117.998 -1.481 . . . . 0.0 112.259 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.36 -5.63 16.43 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 125.116 3.877 . . . . 0.0 113.349 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -114.32 9.6 16.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.876 2.07 . . . . 0.0 111.079 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.273 7.2 m -121.57 -4.31 9.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.468 -1.395 . . . . 0.0 114.495 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -87.67 91.68 8.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 102.299 -3.223 . . . . 0.0 102.299 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.63 153.06 51.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.33 1.052 . . . . 0.0 111.635 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -68.25 123.77 21.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.44 -30.7 71.42 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.626 1.103 . . . . 0.0 111.915 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -33.03 69.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.3 p -124.04 -10.58 7.63 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.113 1.524 . . . . 0.0 115.113 -177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp 66.28 7.49 4.93 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.159 1.784 . . . . 0.0 115.315 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.569 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.8 p -73.86 142.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 105.358 -2.089 . . . . 0.0 105.358 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.1 mm -69.05 148.61 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.59 102.53 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 103.543 -2.762 . . . . 0.0 103.543 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.8 171.54 7.72 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.1 10.59 0.28 Allowed 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.036 -1.04 . . . . 0.0 112.477 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.0 28.1 4.18 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.408 1.956 . . . . 0.0 116.813 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -131.69 177.04 7.82 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.585 2.692 . . . . 0.0 108.272 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.55 144.06 36.72 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.366 -0.834 . . . . 0.0 109.292 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -136.4 169.34 17.83 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.153 0.981 . . . . 0.0 109.856 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.69 130.31 16.92 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.7 mt -98.82 119.88 38.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.73 124.88 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 38.85 46.08 1.02 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.283 2.233 . . . . 0.0 112.001 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 44.03 23.84 0.07 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.959 2.903 . . . . 0.0 114.765 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.39 -6.06 2.28 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.6 m -136.15 140.43 43.64 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 tp -118.69 128.79 54.85 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.07 0.948 . . . . 0.0 112.201 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -133.44 161.69 33.89 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.982 0.913 . . . . 0.0 110.569 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.11 161.59 14.69 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -48.69 44.07 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.816 0.735 . . . . 0.0 113.135 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -62.78 -36.05 81.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.688 1.244 . . . . 0.0 112.845 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.84 -51.11 11.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.655 1.182 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.61 -30.56 68.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.988 0.813 . . . . 0.0 110.743 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -60.94 -22.99 64.94 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.945 -0.472 . . . . 0.0 111.931 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -79.67 -42.26 25.15 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.922 1.289 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.82 -179.898 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 121.564 0.536 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.17 149.46 22.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.22 1.808 . . . . 0.0 109.655 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -128.54 150.96 49.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.661 1.985 . . . . 0.0 107.715 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -55.55 116.88 3.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.739 1.154 . . . . 0.0 110.053 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -73.53 31.12 0.07 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.87 1.668 . . . . 0.0 112.849 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.16 -31.77 0.32 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 128.044 2.735 . . . . 0.0 110.626 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -129.73 -0.78 4.85 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m 70.69 -8.52 0.91 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.436 1.494 . . . . 0.0 113.49 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 154.32 22.65 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.313 1.869 . . . . 0.0 111.319 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 26' ' ' THR . 25.1 tp -68.96 143.69 54.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 127.335 2.254 . . . . 0.0 112.93 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -20.25 49.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.242 1.017 . . . . 0.0 111.963 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.51 ' H ' ' HG ' ' A' ' 24' ' ' LEU . 64.0 p 55.11 35.13 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.793 1.637 . . . . 0.0 111.584 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.4 -108.37 0.69 Allowed Glycine 0 CA--C 1.527 0.799 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.828 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.84 153.72 58.67 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.902 2.401 . . . . 0.0 114.681 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -149.88 175.07 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 128.722 2.809 . . . . 0.0 107.811 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.3 mtp -118.69 149.79 40.83 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -124.43 130.0 73.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.783 0.833 . . . . 0.0 110.955 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.99 132.96 15.15 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.44 18.66 58.9 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 76.41 -3.41 2.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.439 2.695 . . . . 0.0 111.545 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -79.17 164.13 24.47 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.243 1.817 . . . . 0.0 110.516 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -119.61 125.13 48.02 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.787 0.835 . . . . 0.0 111.516 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -137.26 154.91 50.03 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.351 0.66 . . . . 0.0 110.28 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -67.9 150.65 97.69 Favored Pre-proline 0 N--CA 1.48 1.044 0 CA-C-O 117.012 -1.471 . . . . 0.0 108.196 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.83 -46.54 19.33 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.546 2.164 . . . . 0.0 111.425 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.14 1.34 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.151 -0.968 . . . . 0.0 113.158 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -120.58 1.18 10.59 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.235 1.414 . . . . 0.0 112.084 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -91.07 98.55 11.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 100.494 -3.891 . . . . 0.0 100.494 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.33 160.89 39.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 35.2 t -65.27 123.06 18.58 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.75 -31.63 69.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.854 1.207 . . . . 0.0 112.073 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -44.09 40.97 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.615 1.566 . . . . 0.0 114.72 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 49' ' ' VAL . 3.7 p -105.99 -5.89 19.2 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 62.35 -0.27 0.53 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.742 2.417 . . . . 0.0 116.192 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.8 p -68.1 143.9 14.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-N 120.688 1.586 . . . . 0.0 108.856 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.24 139.08 20.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -105.68 110.84 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 101.98 -3.341 . . . . 0.0 101.98 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.98 164.69 10.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.936 0.494 . . . . 0.0 111.148 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.19 50.63 0.92 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.171 2.188 . . . . 0.0 109.87 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.65 -21.11 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 128.711 3.053 . . . . 0.0 110.901 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.77 149.82 48.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.764 1.782 . . . . 0.0 109.071 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 86.09 1.07 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.802 0.811 . . . . 0.0 109.733 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -78.88 169.95 17.44 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.069 1.348 . . . . 0.0 109.565 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.95 109.34 3.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tp -90.6 156.57 18.04 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 62' ' ' HIS . 90.5 t -127.04 159.94 36.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 125.016 1.326 . . . . 0.0 108.475 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -60.79 1.45 0.14 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 0.0 113.133 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 60' ' ' VAL . 32.6 t60 -111.89 167.47 10.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.046 2.938 . . . . 0.0 108.488 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.52 67.04 7.33 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.5 m -149.9 152.2 34.66 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 120.47 -1.394 . . . . 0.0 109.21 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 tp -128.77 142.15 51.08 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.328 1.851 . . . . 0.0 109.184 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.68 169.31 17.74 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.564 1.146 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.9 160.28 14.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.34 -44.56 89.67 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.044 0.838 . . . . 0.0 112.985 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -59.32 5.55 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.215 1.008 . . . . 0.0 109.738 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.28 63.6 m -59.0 -32.71 69.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.28 1.032 . . . . 0.0 112.606 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -64.07 -39.56 94.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.818 1.19 . . . . 0.0 109.021 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -70.04 -40.26 75.25 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -60.97 -25.65 67.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.205 1.802 . . . . 0.0 112.932 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 119.128 0.877 . . . . 0.0 110.883 179.661 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 0 CA-C-O 122.299 0.944 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -115.61 109.06 17.22 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -72.84 129.01 37.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.115 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.91 114.77 6.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.133 -1.413 . . . . 0.0 108.021 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.12 -23.35 46.53 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.662 1.119 . . . . 0.0 110.021 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.21 -27.48 63.91 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.973 -1.459 . . . . 0.0 113.747 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.08 -1.55 1.95 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 58.8 52.71 6.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.827 1.194 . . . . 0.0 110.362 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -142.67 154.99 44.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.805 1.242 . . . . 0.0 108.412 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 tp -73.76 122.63 22.72 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.608 1.963 . . . . 0.0 113.042 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.6 ptp -83.98 152.56 24.38 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -136.56 -11.85 1.82 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.18 -152.61 10.67 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.112 1.339 . . . . 0.0 109.854 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.31 169.53 12.23 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.16 2.573 . . . . 0.0 110.971 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -140.57 172.32 12.88 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.333 0.653 . . . . 0.0 112.608 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 91.5 mtp -131.75 162.66 29.97 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -134.41 141.83 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 125.063 1.345 . . . . 0.0 107.82 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.69 123.99 8.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.23 32.33 71.61 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-O 119.107 -0.829 . . . . 0.0 114.241 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 74.46 6.6 4.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.526 1.13 . . . . 0.0 111.741 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -106.76 159.15 16.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.364 . . . . 0.0 109.344 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -105.64 122.58 46.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.257 1.023 . . . . 0.0 112.214 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -133.34 149.6 51.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.187 1.395 . . . . 0.0 110.655 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -78.28 155.56 79.31 Favored Pre-proline 0 N--CA 1.476 0.874 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -59.61 -47.85 15.01 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 124.138 3.226 . . . . 0.0 112.616 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.39 4.42 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.68 1.992 . . . . 0.0 114.886 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.17 4.6 2.48 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.51 1.524 . . . . 0.0 110.586 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.62 85.27 7.45 Favored 'General case' 0 N--CA 1.45 -0.46 1 N-CA-C 98.324 -4.695 . . . . 0.0 98.324 177.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -140.41 154.07 46.55 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.025 -1.047 . . . . 0.0 113.683 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.553 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 11.2 t -63.67 123.76 19.67 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.43 ' HG3' HG23 ' A' ' 64' ' ' THR . 6.7 mmt -56.01 -49.38 73.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.118 0.872 . . . . 0.0 111.828 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -62.17 -26.28 68.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -126.35 -11.1 6.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -176.612 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp 50.18 63.5 2.17 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.222 1.809 . . . . 0.0 111.82 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.9 p -124.65 133.54 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.32 135.44 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.59 92.74 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 100.996 -3.705 . . . . 0.0 100.996 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.17 174.54 6.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.236 0.541 . . . . 0.0 109.85 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.93 -12.01 4.03 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.349 1.459 . . . . 0.0 113.932 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.0 -8.92 38.24 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 117.487 -1.729 . . . . 0.0 113.833 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.51 150.96 23.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.638 2.219 . . . . 0.0 108.371 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.61 87.04 5.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.52 0.676 . . . . 0.0 110.66 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.66 169.03 19.04 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.809 0.844 . . . . 0.0 111.252 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.44 153.16 40.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.156 1.782 . . . . 0.0 107.767 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -133.33 127.08 32.76 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.722 1.209 . . . . 0.0 110.581 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 62' ' ' HIS . 54.1 t -93.86 158.53 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.81 -17.87 10.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.473 ' H ' HG12 ' A' ' 60' ' ' VAL . 16.8 m170 -88.57 -179.66 6.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.688 1.995 . . . . 0.0 110.315 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.24 49.18 1.09 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 45' ' ' MET . 18.6 m -143.57 143.71 31.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.249 1.019 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.64 144.31 48.83 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.41 176.06 8.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 122.397 1.094 . . . . 0.0 109.261 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.74 161.46 14.32 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.18 -44.62 93.15 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.754 1.161 . . . . 0.0 112.233 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -61.14 -33.03 72.75 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.834 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.253 1.3 m -79.32 -42.94 24.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.188 1.795 . . . . 0.0 110.483 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -66.14 -41.91 89.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.563 1.074 . . . . 0.0 110.81 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.46 -21.07 61.92 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.565 0.746 . . . . 0.0 111.964 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -85.96 -44.37 12.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.308 1.043 . . . . 0.0 110.509 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.469 0.495 0 O-C-N 121.042 -1.036 . . . . 0.0 111.838 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.352 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 154.83 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.957 1.303 . . . . 0.0 108.097 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -128.46 147.7 50.69 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.606 1.562 . . . . 0.0 107.768 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 t -68.7 109.62 3.9 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.527 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -50.36 -40.77 50.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.232 1.833 . . . . 0.0 111.276 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.93 -34.63 30.73 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.368 -1.24 . . . . 0.0 113.632 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.7 p -122.72 -10.26 8.32 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.308 1.554 . . . . 0.0 114.35 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m 70.48 0.12 3.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.735 2.814 . . . . 0.0 113.417 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.96 159.52 18.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.558 1.072 . . . . 0.0 109.23 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 25' ' ' MET . 49.4 tp -62.63 164.12 8.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.46 1.904 . . . . 0.0 111.578 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.405 ' H ' HD12 ' A' ' 24' ' ' LEU . 24.0 ptp -125.27 152.09 45.1 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.035 2.134 . . . . 0.0 106.393 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.7 p -115.87 -6.09 12.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.24 -133.98 1.94 Allowed Glycine 0 CA--C 1.526 0.747 0 CA-C-O 118.29 -1.283 . . . . 0.0 110.162 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -65.56 170.14 11.59 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.452 2.768 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.64 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 6.5 p90 -142.34 169.01 18.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 127.281 2.232 . . . . 0.0 107.167 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.5 mtp -116.23 128.69 55.81 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.17 129.17 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.59 140.47 17.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.27 22.92 23.91 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.789 -1.006 . . . . 0.0 113.889 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 75.19 11.75 3.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.28 2.232 . . . . 0.0 112.468 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.71 179.04 5.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.305 1.842 . . . . 0.0 112.304 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 25.3 mmtp -132.76 122.09 24.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.589 1.556 . . . . 0.0 107.817 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.87 150.52 50.47 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -61.5 149.92 82.37 Favored Pre-proline 0 N--CA 1.473 0.715 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.267 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 -5.64 17.47 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.295 3.33 . . . . 0.0 113.663 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -118.12 16.4 14.11 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.582 1.953 . . . . 0.0 109.306 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.7 m -135.54 3.16 3.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -83.87 115.7 22.4 Favored 'General case' 0 C--N 1.328 -0.328 1 N-CA-C 100.125 -4.028 . . . . 0.0 100.125 177.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.74 159.96 43.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.281 0.946 . . . . 0.0 112.518 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.9 t -66.47 123.33 19.72 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 100.54 -3.874 . . . . 0.0 100.54 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -58.2 -54.24 49.26 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 121.482 1.946 . . . . 0.0 108.507 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -59.08 3.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.747 2.019 . . . . 0.0 113.462 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -91.36 -9.58 44.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.399 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt 64.42 -0.09 0.98 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.868 2.467 . . . . 0.0 115.628 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.621 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.0 p -70.68 143.87 14.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 120.694 1.588 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.0 mm -66.0 144.09 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 124.683 1.193 . . . . 0.0 109.064 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -114.74 139.75 39.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -126.77 175.76 7.76 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 126.53 1.932 . . . . 0.0 109.115 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.48 49.96 1.39 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 123.065 1.412 . . . . 0.0 107.973 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' ASP . . . -157.86 -11.33 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 C-N-CA 127.696 2.569 . . . . 0.0 112.025 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLY . 5.5 t70 -92.66 -150.54 0.27 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.73 31.35 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -144.62 166.75 24.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 111.792 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.5 125.02 11.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.187 1.395 . . . . 0.0 108.9 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 146.0 24.98 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.71 160.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 126.503 1.921 . . . . 0.0 108.85 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 61' ' ' GLN . 26.8 mp0 -52.08 -57.0 10.89 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.657 1.583 . . . . 0.0 108.235 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.85 146.98 53.83 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.78 62.11 0.1 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.205 2.202 . . . . 0.0 112.479 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -139.32 135.88 34.24 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.0 tp -108.83 138.79 44.6 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.931 1.292 . . . . 0.0 108.632 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -133.98 163.11 30.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.477 1.111 . . . . 0.0 109.238 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.37 162.46 14.25 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.77 16.58 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.885 1.231 . . . . 0.0 113.367 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.65 -52.19 61.83 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.017 0.909 . . . . 0.0 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.284 1.5 m -56.52 -43.48 79.82 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.892 1.277 . . . . 0.0 111.416 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -68.82 -37.02 78.93 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.831 1.196 . . . . 0.0 108.762 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.82 -12.1 22.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.672 0.789 . . . . 0.0 111.413 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -100.2 -45.55 5.59 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.237 1.015 . . . . 0.0 113.092 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 CA-C-O 121.916 0.731 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -98.24 143.45 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.959 1.304 . . . . 0.0 109.199 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -129.28 160.18 33.81 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.798 2.039 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.9 t -73.65 106.95 5.63 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -46.9 -42.35 17.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.743 1.156 . . . . 0.0 113.31 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.13 -27.6 71.68 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.456 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 2.2 p -120.59 -7.12 9.68 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t 70.82 -13.0 0.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.735 1.614 . . . . 0.0 114.052 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.35 148.18 37.61 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 119.853 -1.779 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.91 153.01 25.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.393 1.477 . . . . 0.0 110.509 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.7 ptp -107.53 -50.8 3.01 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.253 7.5 t 43.87 29.58 0.32 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.061 2.144 . . . . 0.0 113.198 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.64 -146.46 4.86 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.211 1.386 . . . . 0.0 111.843 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.55 154.91 61.63 Favored 'Trans proline' 0 C--O 1.241 0.628 0 C-N-CA 122.748 2.299 . . . . 0.0 112.847 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.3 167.68 25.41 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 125.898 1.679 . . . . 0.0 111.237 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.7 mtp -128.52 147.98 50.72 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.65 129.79 74.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 125.0 1.32 . . . . 0.0 112.366 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.34 140.74 15.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.55 20.37 51.39 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.788 -1.007 . . . . 0.0 113.915 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 77.79 5.21 2.91 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.443 2.697 . . . . 0.0 113.353 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -101.53 -177.58 3.47 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.011 1.324 . . . . 0.0 108.614 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -132.18 140.97 48.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -141.51 156.87 45.7 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.75 0.82 . . . . 0.0 110.64 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 38.1 m80 -70.87 147.24 94.01 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -62.8 -31.91 78.03 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.522 2.148 . . . . 0.0 109.935 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.94 -8.67 16.6 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.203 -1.561 . . . . 0.0 111.837 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.96 -4.21 12.6 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.331 1.853 . . . . 0.0 112.619 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -89.5 94.3 9.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.84 167.36 24.97 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 4.2 t -85.57 123.56 31.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 mmt -61.98 -57.6 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.62 1.168 . . . . 0.0 109.01 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.69 -19.11 5.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.471 1.909 . . . . 0.0 115.567 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -130.6 -10.61 4.0 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 52.09 58.76 5.1 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 127.695 2.398 . . . . 0.0 111.692 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.4 p -124.25 137.85 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.31 140.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mt -102.23 108.83 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.29 156.31 35.76 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.71 106.14 3.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.55 -26.4 1.97 Allowed Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.362 -1.244 . . . . 0.0 110.442 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -86.07 153.67 21.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.568 1.684 . . . . 0.0 108.422 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.81 148.25 32.96 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.01 -1.056 . . . . 0.0 111.325 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -143.07 168.21 20.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.741 1.216 . . . . 0.0 109.31 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.59 139.83 29.87 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.04 114.35 26.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -94.22 108.07 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' ALA . 1.6 mp0 48.33 28.42 1.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.026 2.13 . . . . 0.0 113.064 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 m170 71.5 -36.03 0.35 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.909 2.483 . . . . 0.0 110.942 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -59.01 -29.5 67.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.957 2.103 . . . . 0.0 114.622 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.34 155.83 49.94 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.911 1.232 . . . . 0.0 111.066 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -126.22 134.14 51.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.079 1.752 . . . . 0.0 107.833 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -134.89 161.44 35.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.674 1.59 . . . . 0.0 108.966 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.2 161.85 14.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.62 -48.59 60.57 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.608 1.095 . . . . 0.0 112.246 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -58.49 -58.37 8.85 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.265 -1.138 . . . . 0.0 110.795 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.98 -41.72 75.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.211 2.204 . . . . 0.0 112.521 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -73.8 -45.13 53.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.62 0.646 . . . . 0.0 109.915 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -53.83 -37.63 63.79 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 123.71 0.804 . . . . 0.0 109.666 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -63.05 -50.63 69.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.635 1.574 . . . . 0.0 111.811 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.15 -179.094 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.272 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.84 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -128.6 154.21 46.45 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.811 1.644 . . . . 0.0 109.098 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.53 121.44 15.85 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.41 -29.78 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.034 0.834 . . . . 0.0 112.071 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.16 -66.39 2.04 Favored Glycine 0 CA--C 1.522 0.491 0 O-C-N 121.675 -0.641 . . . . 0.0 112.3 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -78.41 -11.6 59.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.07 20.41 12.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.313 1.445 . . . . 0.0 111.912 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.17 153.54 25.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.472 1.509 . . . . 0.0 111.22 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.39 169.08 17.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.974 2.11 . . . . 0.0 111.783 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 156.97 45.35 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.334 1.854 . . . . 0.0 108.384 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 p -136.57 7.68 3.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.761 1.624 . . . . 0.0 110.801 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.6 -166.39 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 128.338 2.875 . . . . 0.0 109.953 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.24 168.99 22.89 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.926 2.418 . . . . 0.0 111.177 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -149.82 169.13 21.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.736 1.615 . . . . 0.0 107.912 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mtp -120.69 161.79 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.34 129.59 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.25 112.92 7.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.74 26.08 64.5 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 118.877 -0.957 . . . . 0.0 113.137 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 77.29 -0.62 2.86 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.457 1.903 . . . . 0.0 111.662 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.44 167.95 13.55 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.082 1.353 . . . . 0.0 110.908 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -120.67 133.2 55.38 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.445 1.098 . . . . 0.0 110.192 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.79 155.03 42.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.092 1.357 . . . . 0.0 108.775 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.08 148.72 60.97 Favored Pre-proline 0 C--O 1.24 0.577 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.64 -48.76 12.01 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.366 2.711 . . . . 0.0 112.799 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -62.77 6.71 0.09 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.237 1.415 . . . . 0.0 114.488 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.9 m -133.17 -8.91 2.99 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.613 1.565 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -78.75 89.33 4.61 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.27 163.84 31.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 22.2 t -69.4 124.22 23.3 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.1 tpp -46.69 -54.11 10.3 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.954 0.902 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.9 m -73.44 -13.35 61.05 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 117.511 2.411 . . . . 0.0 117.511 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.719 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -130.82 -8.95 3.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 122.155 2.252 . . . . 0.0 115.54 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 58.4 5.39 0.43 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.719 HG12 ' SG ' ' A' ' 47' ' ' CYS . 10.3 p -68.92 139.71 20.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 120.772 1.624 . . . . 0.0 108.996 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.7 mm -77.98 120.67 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mt -84.76 164.46 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -131.93 167.31 19.84 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -80.81 63.97 5.41 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.59 23.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 C-N-CA 126.689 2.09 . . . . 0.0 110.819 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -147.65 133.01 18.53 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 121.47 12.46 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 126.478 1.911 . . . . 0.0 113.001 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -117.93 172.84 7.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.842 1.257 . . . . 0.0 108.214 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.2 112.24 7.26 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.67 149.59 31.2 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.32 156.85 21.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.05 176.93 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 110.21 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 m170 57.11 19.15 4.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.1 0.96 . . . . 0.0 111.62 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.53 27.3 13.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.307 2.243 . . . . 0.0 112.018 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -84.6 156.82 21.41 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 tp -150.39 141.41 22.98 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.045 -1.659 . . . . 0.0 109.147 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -134.71 165.88 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.555 0.693 . . . . 0.0 109.523 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.5 161.74 14.5 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -47.91 41.46 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 118.854 0.752 . . . . 0.0 113.172 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -61.94 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.534 1.167 . . . . 0.0 111.815 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.0 -44.8 71.18 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.955 1.702 . . . . 0.0 112.123 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -64.61 -46.27 83.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 119.194 0.906 . . . . 0.0 109.587 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -60.58 -21.91 63.14 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.628 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.17 -58.22 3.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.344 1.058 . . . . 0.0 109.553 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 118.605 0.639 . . . . 0.0 112.558 -179.143 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.397 0 CA-C-O 122.528 1.071 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -107.4 150.5 26.67 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.528 1.531 . . . . 0.0 109.489 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -129.1 160.07 33.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.609 1.563 . . . . 0.0 109.178 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 29.8 t -74.02 100.79 3.67 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -49.69 -35.18 20.84 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.763 1.225 . . . . 0.0 112.229 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.19 -51.81 54.11 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.778 -1.012 . . . . 0.0 112.159 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.3 -11.27 21.4 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m 63.51 60.28 1.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.012 0.823 . . . . 0.0 109.715 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -147.69 143.07 27.36 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.505 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.1 tp -73.89 169.82 16.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.538 1.935 . . . . 0.0 111.69 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.06 162.85 30.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.294 1.838 . . . . 0.0 107.165 176.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -131.85 13.69 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 111.803 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.21 -155.8 6.65 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.193 1.378 . . . . 0.0 110.613 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.24 167.15 17.08 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 122.694 2.263 . . . . 0.0 111.324 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -145.5 167.92 21.83 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.72 1.208 . . . . 0.0 109.804 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 tpt -108.92 126.94 53.61 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 t -109.57 129.14 64.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.73 142.84 18.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.453 0.701 . . . . 0.0 109.393 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.64 10.68 19.17 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.284 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 88.54 2.92 0.28 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.432 3.493 . . . . 0.0 110.667 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.24 172.38 6.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.172 1.789 . . . . 0.0 109.032 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -130.83 141.36 50.33 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.737 -0.602 . . . . 0.0 112.023 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -144.92 161.11 40.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.692 0.797 . . . . 0.0 113.08 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 23.4 m170 -71.54 146.11 90.99 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.124 -1.417 . . . . 0.0 107.495 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -44.33 30.26 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.295 2.664 . . . . 0.0 110.611 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.35 -3.57 6.24 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.406 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.3 9.86 5.69 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.993 1.317 . . . . 0.0 111.317 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -88.18 89.53 8.03 Favored 'General case' 0 N--CA 1.45 -0.47 1 N-CA-C 98.675 -4.565 . . . . 0.0 98.675 176.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.53 158.02 45.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.7 t -66.07 124.87 23.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -61.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 119.487 1.04 . . . . 0.0 113.317 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -57.96 -28.52 64.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.54 ' SG ' HG12 ' A' ' 49' ' ' VAL . 7.3 p -120.46 -10.68 9.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 67.06 1.47 2.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.753 2.021 . . . . 0.0 114.703 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' SG ' ' A' ' 47' ' ' CYS . 6.3 p -66.02 134.98 29.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-N 120.493 1.497 . . . . 0.0 108.0 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.63 153.32 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.62 109.44 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.93 167.86 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -65.88 -0.37 2.24 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -9.98 37.79 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.746 1.641 . . . . 0.0 110.588 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -83.71 -165.15 1.04 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.26 1.424 . . . . 0.0 107.684 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.91 115.14 10.99 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -108.69 170.24 8.16 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.408 0.683 . . . . 0.0 110.334 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.86 11.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 151.56 43.56 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.49 157.68 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -49.42 -23.31 1.45 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.439 1.896 . . . . 0.0 113.699 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.85 -165.09 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.958 1.703 . . . . 0.0 109.375 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.19 47.93 0.9 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -137.78 139.2 39.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.474 1.11 . . . . 0.0 110.822 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.19 143.68 38.3 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.607 1.963 . . . . 0.0 109.548 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.71 168.9 17.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.494 1.14 . . . . 0.0 113.171 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.59 139.91 30.23 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.54 -35.46 56.81 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-N 119.512 1.051 . . . . 0.0 113.998 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -61.16 -54.84 39.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.288 1.544 . . . . 0.0 110.544 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.1 m -71.9 -34.45 69.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.282 1.033 . . . . 0.0 112.691 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -62.02 -36.34 81.25 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.821 1.191 . . . . 0.0 109.105 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.53 -11.66 26.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.214 0.606 . . . . 0.0 111.325 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.38 -24.52 14.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.691 1.596 . . . . 0.0 109.992 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 O-C-N 120.804 -1.185 . . . . 0.0 112.111 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.791 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.16 154.67 25.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.242 -0.979 . . . . 0.0 108.718 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -117.97 159.68 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.212 2.205 . . . . 0.0 107.702 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 43.2 t -74.34 107.54 6.57 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -46.36 -31.84 2.83 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.346 1.458 . . . . 0.0 113.606 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.53 -63.18 3.86 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 p -87.02 -11.79 49.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 41.16 11.61 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.608 1.963 . . . . 0.0 111.56 -177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.59 141.25 51.92 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.0 167.92 1.47 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.736 2.814 . . . . 0.0 113.897 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.05 157.48 45.59 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.026 1.73 . . . . 0.0 110.131 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -136.72 29.12 2.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.876 2.07 . . . . 0.0 110.111 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.66 -168.58 18.9 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.48 168.5 21.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.43 3.42 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -149.42 173.18 13.84 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.571 1.148 . . . . 0.0 110.345 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.8 tpp -105.56 141.03 37.74 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.25 128.31 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.7 142.05 2.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.69 1.596 . . . . 0.0 107.76 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.84 30.28 62.85 Favored Glycine 0 C--O 1.223 -0.565 0 CA-C-O 116.953 -2.026 . . . . 0.0 114.083 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.277 5.4 pt-20 53.97 10.18 0.26 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.084 2.554 . . . . 0.0 114.928 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -107.43 -176.51 3.09 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.457 2.303 . . . . 0.0 110.633 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -128.0 123.06 33.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.894 -1.129 . . . . 0.0 111.423 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -136.35 152.09 50.28 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.205 0.602 . . . . 0.0 110.862 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 31.4 m170 -69.17 150.93 97.27 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.3 -49.37 9.4 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 110.623 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.77 -6.11 3.38 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.87 0.868 . . . . 0.0 112.604 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -119.73 20.62 12.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.537 1.135 . . . . 0.0 111.74 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -116.84 85.59 2.35 Favored 'General case' 0 N--CA 1.449 -0.52 1 N-CA-C 99.424 -4.287 . . . . 0.0 99.424 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.44 159.73 41.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.949 0.9 . . . . 0.0 113.41 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 44.6 t -67.11 123.54 20.55 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -51.23 61.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.181 1.355 . . . . 0.0 113.355 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -60.28 -59.45 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.8 p -84.39 -12.75 53.89 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -176.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 67.85 2.44 3.08 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.697 1.999 . . . . 0.0 114.375 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.4 p -72.61 138.9 20.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 119.777 1.171 . . . . 0.0 108.907 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.11 149.42 11.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.7 mt -113.1 148.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -132.15 177.16 7.78 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.717 1.207 . . . . 0.0 108.42 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.01 20.47 0.1 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.579 1.552 . . . . 0.0 111.65 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.32 -11.48 7.37 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 126.456 1.979 . . . . 0.0 114.334 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -118.4 -165.27 1.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.329 2.065 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.43 140.95 48.8 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.702 1.201 . . . . 0.0 109.416 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -129.88 162.33 28.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.0 150.61 41.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 tp -123.66 114.17 19.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.84 120.29 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 48.35 24.9 0.77 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.829 2.052 . . . . 0.0 112.835 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m170 53.58 32.04 13.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.964 1.306 . . . . 0.0 109.774 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.07 -22.92 3.39 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.459 1.904 . . . . 0.0 113.341 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -140.39 146.33 38.23 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.237 0.926 . . . . 0.0 110.871 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -108.94 133.16 53.31 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.375 1.87 . . . . 0.0 110.91 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.24 166.17 25.23 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.907 0.883 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.81 161.78 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.65 -44.73 86.26 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 120.008 1.276 . . . . 0.0 113.162 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -59.32 -53.56 56.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.55 1.175 . . . . 0.0 109.726 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.11 -37.1 81.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.558 1.543 . . . . 0.0 111.551 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -73.78 -15.99 61.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.329 -0.857 . . . . 0.0 110.054 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -83.11 -13.15 56.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.016 -1.053 . . . . 0.0 111.566 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.91 -31.61 12.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.815 -1.178 . . . . 0.0 111.08 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 118.738 0.699 . . . . 0.0 112.34 -179.291 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -103.9 154.65 19.39 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.77 142.94 50.83 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 8.6 t -65.79 109.56 2.51 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -47.85 -41.96 25.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 124.04 0.837 . . . . 0.0 110.393 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -33.61 60.07 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-O 117.454 -1.748 . . . . 0.0 115.264 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -121.92 -7.65 8.94 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.416 1.608 . . . . 0.0 115.066 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.77 -0.05 1.39 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.629 1.572 . . . . 0.0 113.766 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 mt -79.38 163.95 24.42 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 120.4 -1.438 . . . . 0.0 110.928 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -81.54 151.89 27.52 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.174 2.189 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -135.49 155.98 49.64 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 p -134.36 -9.09 2.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.197 1.399 . . . . 0.0 110.456 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.81 -163.54 25.97 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 127.23 2.348 . . . . 0.0 111.7 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.95 167.56 25.64 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 109.965 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.16 174.34 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.496 1.519 . . . . 0.0 108.416 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.3 ttt -121.49 134.65 55.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.6 t -103.18 129.59 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.69 133.94 14.29 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.3 10.53 42.3 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.277 -0.735 . . . . 0.0 111.622 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 93.9 -20.88 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 1 C-N-CA 132.101 4.16 . . . . 0.0 110.371 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.86 161.39 31.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.221 2.208 . . . . 0.0 110.438 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -110.65 125.25 53.24 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.95 146.65 52.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.006 0.923 . . . . 0.0 108.673 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 14.5 m80 -70.12 151.37 96.01 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.97 -43.26 20.28 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.391 1.394 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 3.44 0.43 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.805 2.042 . . . . 0.0 114.29 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.31 -8.64 3.34 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.438 1.095 . . . . 0.0 111.37 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.0 83.32 8.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 100.456 -3.905 . . . . 0.0 100.456 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.17 153.48 51.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.123 1.369 . . . . 0.0 113.647 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 42.1 t -63.48 123.32 18.48 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.4 mmm -58.02 -49.55 76.46 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.497 1.044 . . . . 0.0 112.543 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -61.38 -58.39 8.42 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.2 p -78.82 -19.15 52.8 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 60.84 48.61 6.72 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 126.065 1.746 . . . . 0.0 111.823 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.7 p -121.92 139.04 50.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -62.26 148.61 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.99 1.431 . . . . 0.0 107.689 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -115.51 82.28 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -72.31 176.83 4.94 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.68 12.17 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.655 1.982 . . . . 0.0 115.71 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.72 -2.41 20.86 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.674 2.083 . . . . 0.0 113.057 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -127.59 136.09 51.18 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.77 110.81 22.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 124.221 1.008 . . . . 0.0 111.613 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -71.0 -179.74 2.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.342 1.457 . . . . 0.0 110.004 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.34 111.42 3.85 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.36 144.31 38.07 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.55 157.42 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.045 1.338 . . . . 0.0 107.925 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -52.59 -36.01 55.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.822 1.249 . . . . 0.0 112.025 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.74 143.99 26.86 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.28 69.37 0.09 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.597 1.559 . . . . 0.0 113.272 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -141.03 147.64 38.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.083 1.753 . . . . 0.0 106.356 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tp -108.73 141.7 40.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 120.848 -1.157 . . . . 0.0 109.737 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 162.36 35.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.823 1.249 . . . . 0.0 109.805 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 70' ' ' CYS . 0.5 OUTLIER -95.39 158.43 15.46 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 179.219 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.87 92.48 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 119.619 1.099 . . . . 0.0 112.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.2 -50.14 74.85 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.206 1.003 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 67' ' ' CYS 0.273 1.7 m -61.49 -43.31 99.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 110.332 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.76 -50.66 68.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.959 1.254 . . . . 0.0 109.254 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.54 -26.89 65.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.981 1.312 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -79.22 -53.75 6.65 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.633 1.173 . . . . 0.0 109.513 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.58 -179.09 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.71 149.37 32.77 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.35 160.36 26.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.964 2.105 . . . . 0.0 108.683 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.0 t -84.85 107.27 16.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 115.519 -2.182 . . . . 0.0 105.963 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -52.68 -38.82 61.21 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 121.236 1.835 . . . . 0.0 109.378 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.12 -49.15 9.94 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 124.506 1.05 . . . . 0.0 110.674 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -109.33 -5.44 15.85 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m 57.6 47.7 15.5 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.548 1.539 . . . . 0.0 110.95 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -141.2 154.57 45.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.094 1.758 . . . . 0.0 108.292 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.08 161.56 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.801 1.641 . . . . 0.0 110.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.0 ptp -118.73 -37.33 3.28 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p 55.72 -65.54 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.644 2.377 . . . . 0.0 113.849 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.7 -161.88 2.4 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.776 2.131 . . . . 0.0 112.814 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.43 167.94 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.702 2.268 . . . . 0.0 112.415 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 33.3 p90 -138.07 159.91 40.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.739 1.615 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 tpp -107.29 141.84 38.0 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.75 129.64 59.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.05 112.69 8.88 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.12 14.71 40.67 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 116.89 -2.061 . . . . 0.0 115.848 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 105.44 -15.92 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 1 C-N-CA 132.155 4.182 . . . . 0.0 110.039 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -76.34 161.95 28.3 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.577 1.151 . . . . 0.0 108.955 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 40.4 ttmt -126.21 123.66 38.69 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.328 1.051 . . . . 0.0 110.237 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -135.01 161.2 35.97 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.059 0.943 . . . . 0.0 111.924 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -72.48 140.83 82.28 Favored Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 116.815 -1.954 . . . . 0.0 107.23 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.45 -43.82 31.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.286 2.657 . . . . 0.0 110.014 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.58 0.36 0.5 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.589 1.956 . . . . 0.0 113.641 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -132.42 -3.63 3.4 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.57 1.548 . . . . 0.0 111.398 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.38 91.08 6.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 102.437 -3.171 . . . . 0.0 102.437 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.58 155.14 49.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.567 0.747 . . . . 0.0 112.414 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 t -61.2 129.22 40.23 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.7 ttm -55.64 -47.52 76.49 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -69.89 -42.81 72.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -7.66 17.43 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 117.5 2.407 . . . . 0.0 117.5 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 62.18 5.77 1.61 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 p -65.44 138.64 22.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 120.415 1.462 . . . . 0.0 109.614 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.63 128.39 37.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -87.84 136.36 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -111.82 168.5 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.851 1.26 . . . . 0.0 108.902 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.09 -20.62 64.22 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.69 57.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 126.504 2.002 . . . . 0.0 112.823 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -87.42 -162.2 0.78 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.43 135.11 14.46 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -120.2 -178.58 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.829 1.252 . . . . 0.0 111.733 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.35 132.01 22.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.004 1.722 . . . . 0.0 106.787 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.95 117.43 32.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.097 1.359 . . . . 0.0 109.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.03 158.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -47.39 -56.59 6.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.25 1.42 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -77.68 147.22 35.59 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.43 95.15 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.07 2.148 . . . . 0.0 111.379 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -164.01 162.82 23.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.616 2.766 . . . . 0.0 106.284 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.82 128.82 23.56 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.821 1.248 . . . . 0.0 109.201 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -131.92 165.71 23.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.665 1.221 . . . . 0.0 110.495 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.85 145.3 24.49 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.76 -38.8 85.1 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -54.99 40.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.016 1.408 . . . . 0.0 111.567 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 90.4 m -74.93 -28.44 60.6 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.281 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -68.19 -27.86 66.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.187 1.358 . . . . 0.0 109.085 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.02 -33.87 58.39 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.812 0.845 . . . . 0.0 110.813 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.15 -36.03 82.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.572 1.149 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.1 t . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 125.427 1.491 . . . . 0.0 110.307 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 CA-C-O 121.775 0.653 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.75 138.27 54.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -129.19 153.89 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.845 -0.534 . . . . 0.0 110.9 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.24 110.38 9.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 102.995 -2.965 . . . . 0.0 102.995 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -47.97 -42.47 27.81 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 124.528 1.142 . . . . 0.0 109.212 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -54.95 2.31 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.488 1.994 . . . . 0.0 112.17 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.372 0.7 OUTLIER -116.97 0.74 12.5 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.753 1.276 . . . . 0.0 114.207 178.44 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.28 -2.58 2.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.655 1.982 . . . . 0.0 114.035 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -89.97 151.09 21.86 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.426 -0.796 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.99 169.1 5.62 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 129.664 3.186 . . . . 0.0 110.455 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.93 154.65 49.04 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.398 1.479 . . . . 0.0 110.501 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -129.89 -8.59 4.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.387 1.075 . . . . 0.0 110.04 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.54 -163.01 18.62 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.832 2.158 . . . . 0.0 112.981 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -73.62 169.51 22.18 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 124.162 3.242 . . . . 0.0 111.268 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -143.51 173.7 11.41 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.209 1.003 . . . . 0.0 111.647 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.7 mtp -136.26 163.97 29.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.156 1.782 . . . . 0.0 107.054 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.23 129.48 67.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.387 0.675 . . . . 0.0 110.341 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.36 147.53 27.02 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.243 1.417 . . . . 0.0 108.764 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.46 54.52 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.249 -1.306 . . . . 0.0 112.64 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.32 11.0 pt-20 57.84 21.46 7.57 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.892 1.677 . . . . 0.0 112.275 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -111.18 -178.3 3.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.762 2.025 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 124.66 41.88 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.844 1.657 . . . . 0.0 107.748 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -138.8 169.97 16.83 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.072 0.949 . . . . 0.0 112.509 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -91.01 150.57 42.04 Favored Pre-proline 0 N--CA 1.47 0.542 0 CA-C-O 117.856 -1.069 . . . . 0.0 108.717 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.69 -38.63 48.63 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.573 2.182 . . . . 0.0 109.426 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -72.08 9.32 0.99 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.894 1.677 . . . . 0.0 112.36 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.07 15.54 2.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.606 1.162 . . . . 0.0 113.659 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -111.62 85.11 2.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.18 13.04 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.121 -0.987 . . . . 0.0 111.758 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.0 t -85.46 124.37 31.97 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 116.702 -1.618 . . . . 0.0 106.952 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.3 tpp -57.92 -54.23 49.22 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.146 1.794 . . . . 0.0 109.206 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.65 -16.51 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 130.113 3.365 . . . . 0.0 115.896 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -140.44 -11.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 113.604 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 65.59 1.94 1.89 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.82 2.848 . . . . 0.0 114.75 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.1 p -66.37 144.21 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 110.226 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -78.89 133.51 29.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.88 156.86 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -113.2 166.48 11.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.362 1.065 . . . . 0.0 109.377 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -67.26 -12.15 59.35 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.1 12.59 19.72 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.169 1.366 . . . . 0.0 111.257 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.65 165.1 11.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.315 1.058 . . . . 0.0 110.673 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.93 122.59 26.32 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 125.184 1.394 . . . . 0.0 112.21 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -142.87 166.49 24.5 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.501 1.121 . . . . 0.0 110.587 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.41 116.41 6.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.4 142.71 27.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.72 160.14 41.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 127.339 2.256 . . . . 0.0 107.455 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -51.85 171.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.031 0.933 . . . . 0.0 110.282 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 56.15 29.39 14.6 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.199 -0.938 . . . . 0.0 108.483 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 46.64 19.07 0.07 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.581 3.152 . . . . 0.0 114.226 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 125.1 25.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 tp -108.68 125.84 52.33 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.281 1.833 . . . . 0.0 110.353 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -122.92 166.82 14.42 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.462 1.105 . . . . 0.0 109.689 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.38 148.72 22.11 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.28 -41.97 24.48 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 118.698 0.681 . . . . 0.0 113.693 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.02 -59.78 2.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 122.908 1.337 . . . . 0.0 112.444 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.306 63.8 m -65.02 -13.52 58.1 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 126.548 1.939 . . . . 0.0 111.735 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -87.48 -49.81 6.96 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -52.3 -36.84 54.11 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.658 1.183 . . . . 0.0 111.263 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -55.96 -33.49 64.83 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.469 1.908 . . . . 0.0 111.826 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 124.85 1.26 . . . . 0.0 108.625 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.831 0 N-CA-C 114.315 0.486 . . . . 0.0 114.315 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -121.25 138.5 54.2 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.941 1.696 . . . . 0.0 110.239 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.18 148.89 25.22 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.21 -0.931 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 4.5 t -70.82 110.29 5.5 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -51.52 -35.14 39.23 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.499 1.5 . . . . 0.0 110.922 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.66 -33.24 48.18 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.291 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -131.4 -5.02 3.78 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 m 62.57 25.78 15.33 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.171 1.351 . . . . 0.0 112.991 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 mt -111.81 146.74 37.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.899 1.28 . . . . 0.0 108.25 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.7 159.99 32.48 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.136 1.374 . . . . 0.0 112.036 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -123.32 146.52 47.85 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.611 1.164 . . . . 0.0 110.982 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.26 62.28 1.66 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 127.335 2.254 . . . . 0.0 106.029 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.7 170.21 26.09 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.359 0.98 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.27 169.46 15.31 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 124.722 3.615 . . . . 0.0 113.125 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.98 173.05 12.22 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.944 1.698 . . . . 0.0 110.111 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -94.56 142.32 27.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.877 1.671 . . . . 0.0 107.419 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.5 t -103.77 126.93 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 120.477 1.49 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.17 170.13 5.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.203 1.401 . . . . 0.0 110.523 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.44 32.57 30.83 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.041 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 53.54 12.6 0.39 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.586 2.355 . . . . 0.0 115.563 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.87 -148.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.801 1.182 . . . . 0.0 110.29 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -143.31 132.04 22.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.025 1.73 . . . . 0.0 106.967 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -132.16 150.24 52.2 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 123.966 0.906 . . . . 0.0 109.477 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 26.4 m170 -66.71 150.52 97.49 Favored Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 116.705 -1.998 . . . . 0.0 109.597 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.23 -40.27 83.85 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.907 3.071 . . . . 0.0 112.326 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.24 -4.19 46.54 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.031 -1.043 . . . . 0.0 113.454 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.11 11.15 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.722 1.209 . . . . 0.0 112.96 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -105.81 87.33 2.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.85 168.09 24.72 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.7 t -66.73 123.77 21.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -35.65 63.98 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -11.42 55.36 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.596 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -136.05 -10.0 2.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.886 1.675 . . . . 0.0 114.792 -178.667 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.266 0.5 OUTLIER 62.88 3.48 1.22 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.796 2.038 . . . . 0.0 115.287 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.3 p -66.64 134.31 30.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.25 142.92 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -103.55 106.86 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.98 159.46 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.02 0.528 . . . . 0.0 111.194 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.59 70.54 4.96 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.502 1.144 . . . . 0.0 107.948 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 -31.62 0.07 OUTLIER Glycine 0 CA--C 1.527 0.827 0 C-N-CA 128.136 2.779 . . . . 0.0 109.996 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.56 137.76 41.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.088 0.944 . . . . 0.0 108.87 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.46 139.63 53.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.794 1.637 . . . . 0.0 111.201 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.99 -177.31 4.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.884 1.673 . . . . 0.0 109.521 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.43 146.4 29.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 127.708 2.403 . . . . 0.0 105.954 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.59 121.39 42.45 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.95 158.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.568 1.147 . . . . 0.0 108.002 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -50.16 -35.1 24.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.931 1.292 . . . . 0.0 113.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.77 150.74 20.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.719 0.808 . . . . 0.0 109.713 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.1 68.53 0.12 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.862 1.665 . . . . 0.0 113.824 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -153.14 141.02 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.65 146.59 33.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.04 0.936 . . . . 0.0 111.314 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -130.6 162.91 28.29 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.097 1.359 . . . . 0.0 108.392 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -93.07 154.27 18.21 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 178.433 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.5 -47.27 44.96 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.65 0.659 . . . . 0.0 112.983 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.23 -52.93 60.2 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.96 1.38 . . . . 0.0 110.34 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.52 -33.89 73.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.631 1.173 . . . . 0.0 112.44 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -68.89 -18.17 64.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.398 1.454 . . . . 0.0 110.434 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -89.13 -30.47 18.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.79 -26.86 66.31 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.914 -1.116 . . . . 0.0 111.245 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.468 0.439 0 O-C-N 121.151 -0.968 . . . . 0.0 112.011 179.556 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.526 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -137.18 153.24 50.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.369 1.084 . . . . 0.0 111.523 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -169.34 167.73 9.96 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.868 2.467 . . . . 0.0 106.201 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.8 96.18 0.2 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 107.201 -2.36 . . . . 0.0 107.201 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -135.4 143.96 46.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 -168.63 2.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.852 0.861 . . . . 0.0 111.721 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.87 91.73 2.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -153.87 105.66 2.78 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -64.69 136.17 56.67 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 122.474 1.131 . . . . 0.0 111.473 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -87.17 -49.48 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 127.019 2.127 . . . . 0.0 106.577 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -76.86 -175.18 3.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.79 1.636 . . . . 0.0 108.161 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.48 79.79 0.1 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.291 0.948 . . . . 0.0 111.452 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -138.22 85.85 2.12 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -138.32 -50.11 0.56 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.968 2.507 . . . . 0.0 108.373 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.69 -159.11 20.5 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.718 1.628 . . . . 0.0 109.167 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.47 139.31 54.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.527 1.156 . . . . 0.0 108.5 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.13 144.07 51.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.825 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 8.6 t -65.17 121.08 13.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -45.51 -47.21 14.21 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.023 0.829 . . . . 0.0 110.776 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -30.84 76.97 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 117.942 -1.477 . . . . 0.0 116.024 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 16.4 p -118.54 -9.59 10.26 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.863 2.332 . . . . 0.0 115.228 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 63.94 2.76 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.624 1.97 . . . . 0.0 111.586 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.69 142.12 31.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 120.452 1.478 . . . . 0.0 108.013 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.97 140.27 58.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.393 2.277 . . . . 0.0 109.249 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -115.72 168.11 10.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.862 0.865 . . . . 0.0 109.01 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -143.87 -37.36 0.33 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.87 -153.22 12.68 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.138 1.828 . . . . 0.0 111.425 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.21 159.63 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.035 1.824 . . . . 0.0 109.936 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -149.78 172.94 14.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.379 1.472 . . . . 0.0 108.687 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.3 mtp -122.53 146.52 47.33 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.54 128.68 66.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.95 157.91 10.19 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.574 2.349 . . . . 0.0 107.923 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.31 31.94 35.94 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 117.764 -1.575 . . . . 0.0 113.506 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.316 13.5 pt-20 55.31 22.49 4.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.63 1.972 . . . . 0.0 114.579 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 -173.88 2.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.24 1.416 . . . . 0.0 108.037 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -140.83 139.85 34.57 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.204 1.401 . . . . 0.0 107.426 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -146.23 155.55 42.76 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -65.45 154.82 87.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -66.03 -5.3 11.9 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.933 3.088 . . . . 0.0 113.365 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.293 73.8 mt-10 -108.73 -2.3 18.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.735 2.814 . . . . 0.0 113.159 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.272 58.6 m -123.08 15.76 9.92 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -103.73 92.87 4.62 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 100.576 -3.861 . . . . 0.0 100.576 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.67 161.7 35.78 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.1 t -63.79 124.34 21.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.3 -59.76 3.41 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.747 0.654 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -50.02 72.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -93.89 -13.44 27.18 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 -176.346 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 69.48 8.24 6.66 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG12 ' SG ' ' A' ' 47' ' ' CYS . 12.3 p -64.89 136.74 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -79.87 131.67 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.32 140.52 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -111.96 169.62 8.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.664 1.585 . . . . 0.0 108.848 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.27 77.26 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.203 1.801 . . . . 0.0 112.68 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.66 -27.8 1.32 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 118.544 -1.142 . . . . 0.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.09 130.7 42.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.502 1.651 . . . . 0.0 109.388 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 103.42 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.639 2.376 . . . . 0.0 115.153 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -94.43 169.97 9.82 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.55 30.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.3 mt -114.72 156.12 25.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.809 1.244 . . . . 0.0 110.757 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.31 158.53 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.85 1.66 . . . . 0.0 108.56 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -63.28 -14.33 48.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.513 1.525 . . . . 0.0 111.192 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -116.16 174.3 6.12 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.317 2.247 . . . . 0.0 107.432 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.2 84.43 0.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.878 0.871 . . . . 0.0 109.104 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 154.35 27.69 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.344 -1.473 . . . . 0.0 107.525 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 tp -141.73 135.22 29.57 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.183 0.993 . . . . 0.0 108.338 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -131.47 173.93 10.59 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.128 0.971 . . . . 0.0 109.729 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.54 150.58 20.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.15 -38.15 88.72 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.505 1.502 . . . . 0.0 112.756 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -61.25 -42.46 98.67 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.241 -1.152 . . . . 0.0 113.271 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.53 -30.02 15.22 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.266 1.826 . . . . 0.0 114.967 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -64.45 -14.11 55.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.651 1.569 . . . . 0.0 108.932 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -50.34 -34.43 23.83 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 129.141 2.977 . . . . 0.0 109.59 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.44 -32.7 64.52 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.762 0.825 . . . . 0.0 112.392 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.54 -19.43 15.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 125.226 1.411 . . . . 0.0 110.969 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.94 -37.98 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.707 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.5 m 55.16 13.67 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -26.78 -73.18 0.03 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.012 2.244 . . . . 0.0 117.7 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -82.26 14.81 2.15 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.845 3.696 . . . . 0.0 114.594 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 t -104.64 176.85 5.02 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.203 1.401 . . . . 0.0 109.402 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 p -83.98 -78.62 0.23 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.073 0.949 . . . . 0.0 110.502 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -178.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 p 40.21 78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.643 1.977 . . . . 0.0 113.988 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -156.61 168.21 28.09 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.477 0.711 . . . . 0.0 109.436 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.54 160.04 22.55 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 126.315 1.912 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -154.81 160.95 41.61 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.027 0.913 . . . . 0.0 110.678 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -82.77 -29.2 29.81 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.837 2.055 . . . . 0.0 108.445 177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.59 -172.36 42.62 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 125.246 1.403 . . . . 0.0 111.39 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -65.59 165.41 12.41 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 124.675 1.19 . . . . 0.0 108.776 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.46 160.7 15.76 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.375 0.607 . . . . 0.0 111.76 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.82 50.57 0.74 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 123.109 1.433 . . . . 0.0 113.275 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -120.49 -170.32 1.97 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.886 -1.506 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.19 -19.88 0.13 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.486 1.041 . . . . 0.0 111.679 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -81.44 98.01 8.04 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -77.61 76.94 4.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.707 0.803 . . . . 0.0 110.165 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.97 -177.44 14.94 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 124.951 1.262 . . . . 0.0 111.182 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -85.9 140.95 29.93 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.506 1.522 . . . . 0.0 109.47 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -129.1 155.8 44.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 112.157 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.556 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 14.4 t -76.33 102.91 6.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -49.19 -41.45 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.941 1.246 . . . . 0.0 109.942 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.05 -31.65 40.81 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 118.305 -1.275 . . . . 0.0 113.983 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 p -122.81 -9.33 8.35 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.428 1.614 . . . . 0.0 114.119 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 67.14 32.69 6.0 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.163 0.985 . . . . 0.0 111.37 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -127.03 143.65 51.23 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.552 -1.342 . . . . 0.0 110.703 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 tp -66.81 139.09 57.76 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 129.37 3.068 . . . . 0.0 110.754 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.19 13.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.976 0.807 . . . . 0.0 108.999 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -134.91 8.93 3.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.841 1.656 . . . . 0.0 110.252 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.65 -168.65 11.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.757 2.598 . . . . 0.0 108.642 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.69 163.19 31.3 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.949 1.766 . . . . 0.0 111.433 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -132.76 173.85 10.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.88 2.072 . . . . 0.0 109.241 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.52 134.57 54.69 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -111.96 128.94 68.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.79 135.17 15.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 123.567 0.747 . . . . 0.0 109.006 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.12 24.18 34.92 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.269 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 82.21 -0.96 1.44 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.601 3.16 . . . . 0.0 112.14 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.79 173.7 7.86 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.329 1.452 . . . . 0.0 109.733 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -133.78 122.9 23.96 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.549 0.739 . . . . 0.0 110.031 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -140.8 149.95 42.7 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.221 0.609 . . . . 0.0 111.534 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 28.3 m170 -70.65 147.85 94.76 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.25 -36.08 92.63 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 CA-C-N 121.658 1.628 . . . . 0.0 112.447 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.19 -13.03 45.97 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.452 -1.405 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.39 -8.38 21.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 112.172 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -96.77 86.6 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.49 160.16 39.91 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.15 0.98 . . . . 0.0 111.348 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 45.1 t -68.12 123.57 21.04 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 104.033 -2.581 . . . . 0.0 104.033 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 35.7 ttp -54.46 -31.08 54.89 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.02 1.282 . . . . 0.0 113.835 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -86.26 -59.31 2.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 122.521 0.329 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.1 p -81.63 -10.86 59.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 116.787 2.143 . . . . 0.0 116.787 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.38 -1.62 1.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.038 2.135 . . . . 0.0 115.008 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.1 p -64.52 139.62 21.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.25 141.49 16.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mm -95.76 163.67 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' ' HB3' ' A' ' 55' ' ' ASP . 12.9 mt-10 -132.63 165.66 23.94 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.746 1.218 . . . . 0.0 109.845 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.63 -13.35 62.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -114.98 17.26 17.59 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.255 2.36 . . . . 0.0 111.112 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 19.2 t0 -113.87 157.16 22.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.569 1.685 . . . . 0.0 109.408 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 127.39 33.44 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.642 0.777 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -137.41 156.96 47.57 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.461 1.104 . . . . 0.0 108.563 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.12 128.37 20.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.72 156.41 17.06 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.18 157.99 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -55.98 -34.19 65.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.528 1.131 . . . . 0.0 109.962 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -88.57 178.86 6.4 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.425 1.49 . . . . 0.0 109.725 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 81.44 2.06 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.7 m -158.49 141.01 14.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.155 1.382 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.11 119.06 23.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.912 2.085 . . . . 0.0 105.899 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -112.24 167.71 10.2 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.002 1.321 . . . . 0.0 108.848 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.38 155.13 17.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.92 -42.71 96.89 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 119.406 1.003 . . . . 0.0 110.668 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.49 -23.44 64.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.721 0.808 . . . . 0.0 111.688 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.15 -49.7 5.86 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 126.571 1.949 . . . . 0.0 111.352 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -58.76 -22.1 57.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.158 1.345 . . . . 0.0 110.123 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.26 -18.6 61.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.782 2.033 . . . . 0.0 110.667 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.9 -15.69 31.57 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.302 2.241 . . . . 0.0 111.681 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -28.34 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 121.019 -1.051 . . . . 0.0 110.914 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -57.89 -21.69 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.82 2.048 . . . . 0.0 112.832 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.7 t -62.8 -29.49 70.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 0.0 111.285 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.56 62.33 0.19 Allowed Glycine 0 C--N 1.339 0.747 0 CA-C-N 118.954 0.797 . . . . 0.0 113.128 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.78 178.91 4.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 124.241 3.294 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -121.38 -165.67 1.27 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.887 1.275 . . . . 0.0 109.631 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 t -138.55 -170.99 2.95 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 107.725 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.24 0 N-CA-C 104.888 -3.285 . . . . 0.0 104.888 178.698 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.12 -174.81 5.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.483 1.642 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -125.1 -177.72 3.95 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.068 1.747 . . . . 0.0 110.261 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.5 149.89 7.89 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 127.569 2.509 . . . . 0.0 108.269 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -163.29 163.22 25.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.067 1.347 . . . . 0.0 108.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -140.2 -177.58 5.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.375 2.27 . . . . 0.0 108.726 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.04 25.48 8.38 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.97 1.748 . . . . 0.0 112.28 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -88.84 78.19 7.64 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -79.85 87.2 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.771 1.229 . . . . 0.0 111.159 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -156.42 164.24 38.5 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 119.088 0.858 . . . . 0.0 110.764 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -84.98 102.41 13.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.363 1.865 . . . . 0.0 107.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.35 83.64 0.18 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -128.1 -1.87 5.79 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.139 1.376 . . . . 0.0 113.722 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.03 13.42 9.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.74 1.216 . . . . 0.0 111.412 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.53 162.26 19.82 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -83.41 160.91 21.49 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 122.773 1.273 . . . . 0.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -128.44 138.64 52.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.614 1.566 . . . . 0.0 109.777 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t -76.82 106.33 8.42 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -55.42 -45.83 76.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.78 -65.59 1.34 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.482 1.515 . . . . 0.0 110.779 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 31.5 p -82.44 -13.04 57.43 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 t 69.36 39.17 1.69 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.307 1.443 . . . . 0.0 109.03 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 mt -138.25 146.16 42.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.87 1.268 . . . . 0.0 110.592 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.32 135.12 57.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.462 3.105 . . . . 0.0 112.827 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptp -91.6 155.75 18.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.157 0.889 . . . . 0.0 108.704 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.53 -56.54 1.01 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.781 0.832 . . . . 0.0 111.487 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.78 -153.78 8.56 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.803 1.192 . . . . 0.0 110.85 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -68.09 169.48 16.5 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.206 1.938 . . . . 0.0 110.17 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 43.4 p90 -140.71 173.73 11.21 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 126.709 2.004 . . . . 0.0 109.104 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.94 155.91 43.49 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -130.36 130.89 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 125.54 1.536 . . . . 0.0 111.622 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.36 143.92 22.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 128.45 2.7 . . . . 0.0 105.49 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.0 13.04 6.07 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 117.667 -1.63 . . . . 0.0 115.299 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 84.04 6.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.751 2.82 . . . . 0.0 113.272 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.59 -175.72 4.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.05 1.34 . . . . 0.0 110.552 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -137.56 134.61 35.83 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 125.844 1.658 . . . . 0.0 106.733 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -148.55 158.15 43.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.619 1.1 . . . . 0.0 110.85 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -67.89 150.69 97.68 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 115.874 -2.33 . . . . 0.0 106.281 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 44.3 Cg_endo -65.77 -40.22 17.86 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.863 2.375 . . . . 0.0 113.493 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -3.44 9.21 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.534 1.061 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.03 -2.63 27.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.906 0.882 . . . . 0.0 112.249 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.3 87.35 7.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 101.639 -3.467 . . . . 0.0 101.639 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.2 158.81 44.29 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.468 1.107 . . . . 0.0 111.786 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.6 t -74.15 123.7 24.95 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -60.69 -40.24 91.47 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.2 2.273 . . . . 0.0 112.893 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.18 89.61 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 126.794 2.038 . . . . 0.0 115.779 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.4 p -112.25 -9.62 13.89 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 63.24 1.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 128.452 2.701 . . . . 0.0 116.001 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.3 p -69.5 140.3 18.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 119.841 1.2 . . . . 0.0 109.483 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.16 144.93 12.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 105.296 -2.112 . . . . 0.0 105.296 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -106.35 139.48 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.66 169.43 8.64 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.18 -24.49 54.8 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.367 1.467 . . . . 0.0 113.022 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.31 -14.37 38.85 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.251 1.882 . . . . 0.0 114.95 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.86 168.18 15.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.92 2.36 . . . . 0.0 112.516 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.68 99.0 11.75 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.403 1.481 . . . . 0.0 113.549 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -87.91 174.15 8.5 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.524 0.73 . . . . 0.0 109.23 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.51 124.69 6.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -110.09 156.6 20.34 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.989 1.316 . . . . 0.0 107.547 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.71 159.74 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 107.086 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -45.03 -48.33 11.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.077 1.751 . . . . 0.0 110.646 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -79.85 158.94 26.63 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.192 1.397 . . . . 0.0 109.101 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.66 76.1 0.19 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.608 1.163 . . . . 0.0 112.17 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -149.86 142.64 24.68 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.793 -1.192 . . . . 0.0 108.067 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.89 139.1 54.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.912 1.285 . . . . 0.0 111.592 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -137.0 171.37 14.61 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.119 1.768 . . . . 0.0 111.462 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -94.56 158.05 15.71 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.3 -44.09 93.51 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.317 0.962 . . . . 0.0 112.847 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -61.01 -40.14 92.43 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.96 1.38 . . . . 0.0 112.073 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.42 -46.06 70.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 109.545 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -60.29 -37.87 81.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.823 0.738 . . . . 0.0 110.807 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -57.77 -24.04 55.22 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.231 1.412 . . . . 0.0 112.105 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -100.11 -25.11 14.4 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.703 0.801 . . . . 0.0 110.972 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.93 -34.98 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 O-C-N 121.218 -0.927 . . . . 0.0 110.323 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.83 -14.96 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 118.399 0.545 . . . . 0.0 111.772 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.4 t -77.4 91.99 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.04 83.13 0.34 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -64.95 107.92 1.01 Allowed 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.598 2.199 . . . . 0.0 107.41 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.74 162.19 13.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.337 1.055 . . . . 0.0 110.344 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -163.61 -56.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.664 -0.647 . . . . 0.0 109.705 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.913 0 N-CA-C 105.716 -2.954 . . . . 0.0 105.716 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -139.28 168.3 20.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.28 1.032 . . . . 0.0 108.237 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -160.54 179.1 8.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.323 1.449 . . . . 0.0 107.359 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.4 168.3 41.16 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -164.86 166.27 19.77 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.771 1.628 . . . . 0.0 108.014 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -164.67 169.95 16.26 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.296 1.039 . . . . 0.0 108.847 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.72 167.08 26.03 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 127.837 2.637 . . . . 0.0 107.439 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.77 164.81 36.67 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.046 0.923 . . . . 0.0 110.119 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.74 96.84 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 125.461 1.505 . . . . 0.0 107.807 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.82 -55.67 24.27 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -77.44 168.33 20.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.11 1.764 . . . . 0.0 108.485 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.28 -148.45 6.77 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -48.73 -39.71 25.84 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 126.379 1.871 . . . . 0.0 112.496 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 50.87 24.32 1.74 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.274 1.43 . . . . 0.0 112.763 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.69 -159.65 30.78 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-O 122.027 0.793 . . . . 0.0 113.466 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -85.15 137.36 33.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.746 1.618 . . . . 0.0 111.548 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.68 154.98 45.75 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.209 2.204 . . . . 0.0 107.069 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.0 t -65.6 113.36 4.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.5 21.95 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.85 2.46 . . . . 0.0 114.806 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.93 -47.51 0.18 Allowed Glycine 0 CA--C 1.526 0.726 0 C-N-CA 127.331 2.396 . . . . 0.0 108.08 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.8 p -104.7 -6.32 20.5 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m 62.54 30.98 17.15 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.033 1.288 . . . . 0.0 112.843 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -121.89 144.79 48.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.031 1.333 . . . . 0.0 107.539 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 tp -54.53 157.99 2.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.498 2.719 . . . . 0.0 112.539 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 ptp -112.55 151.4 30.06 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 126.075 1.75 . . . . 0.0 108.55 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.3 p -127.36 -70.68 0.7 Allowed 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.75 -169.74 15.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.257 1.408 . . . . 0.0 110.13 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.2 165.64 16.63 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.117 1.878 . . . . 0.0 112.107 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -128.94 156.63 43.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.262 1.425 . . . . 0.0 108.7 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.51 123.85 36.12 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -103.57 129.63 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.382 1.473 . . . . 0.0 107.148 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.78 134.35 15.44 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.75 32.08 39.5 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.492 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 76.52 -1.83 2.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.996 2.118 . . . . 0.0 113.126 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -85.23 -176.51 6.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.329 1.422 . . . . 0.0 111.642 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -145.76 132.7 20.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.422 1.489 . . . . 0.0 108.446 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -150.6 156.72 41.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.659 1.583 . . . . 0.0 108.646 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 33.7 m170 -71.36 148.17 93.35 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 116.918 -1.913 . . . . 0.0 106.074 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.83 -46.7 27.53 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.362 2.708 . . . . 0.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.61 -3.51 1.08 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.343 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.1 m -129.9 20.36 5.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.532 1.533 . . . . 0.0 112.77 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.91 88.95 3.03 Favored 'General case' 0 N--CA 1.448 -0.57 1 N-CA-C 98.508 -4.627 . . . . 0.0 98.508 176.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.32 159.59 42.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.87 0.868 . . . . 0.0 112.379 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.52 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.5 t -63.7 124.71 22.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.492 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 47.8 tpp -51.46 -46.18 62.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.676 1.125 . . . . 0.0 110.609 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -60.75 -20.42 61.27 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.672 ' SG ' HG12 ' A' ' 49' ' ' VAL . 17.8 p -142.43 -8.37 0.87 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? 62.16 9.95 3.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.346 1.858 . . . . 0.0 114.122 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.8 p -76.0 138.55 20.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -58.5 151.03 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.23 0.956 . . . . 0.0 110.652 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.09 104.85 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 103.938 -2.616 . . . . 0.0 103.938 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -80.37 177.27 9.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.868 0.842 . . . . 0.0 110.577 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.24 3.81 0.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.243 1.817 . . . . 0.0 114.254 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.07 -0.98 2.38 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.478 1.513 . . . . 0.0 113.921 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 161.62 30.64 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.257 1.528 . . . . 0.0 113.671 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.84 109.71 15.66 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -135.7 171.09 14.96 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.38 145.0 27.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.17 1.788 . . . . 0.0 109.755 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 102.91 9.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.96 136.08 25.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 124.328 1.051 . . . . 0.0 108.412 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 43.61 33.36 0.66 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.735 2.414 . . . . 0.0 113.341 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 p80 38.99 39.91 0.41 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.859 2.064 . . . . 0.0 112.626 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.61 -16.55 0.32 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -133.58 144.07 49.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.924 1.238 . . . . 0.0 110.138 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -108.99 137.76 46.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.828 1.251 . . . . 0.0 111.561 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -136.02 161.38 35.84 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.762 1.225 . . . . 0.0 112.14 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.6 OUTLIER -93.97 156.72 16.46 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.023 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.84 -44.61 92.08 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.16 0.891 . . . . 0.0 112.195 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.79 -36.85 75.12 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.64 1.22 . . . . 0.0 111.994 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.46 -49.21 15.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.411 1.484 . . . . 0.0 110.378 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -56.87 -35.43 68.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.594 0.633 . . . . 0.0 110.717 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -60.15 -32.89 71.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.867 1.667 . . . . 0.0 112.057 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.38 -32.05 73.5 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.024 1.33 . . . . 0.0 112.193 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.5 t -78.72 -51.79 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.922 0.889 . . . . 0.0 109.029 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.53 -33.51 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 121.581 -0.699 . . . . 0.0 110.929 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 m -89.49 49.06 1.68 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.119 -0.988 . . . . 0.0 108.633 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.01 79.58 0.04 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -63.14 -8.11 13.46 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.316 2.677 . . . . 0.0 114.414 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -135.44 103.37 5.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 m -78.12 -171.47 2.36 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.799 0.84 . . . . 0.0 110.325 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 179.6 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -68.13 156.9 36.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.254 1.027 . . . . 0.0 111.825 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -82.36 132.4 35.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 109.473 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.6 139.73 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.488 1.042 . . . . 0.0 111.85 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -71.5 34.56 0.05 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 113.969 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m 59.75 14.36 4.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.645 . . . . 0.0 113.609 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.49 176.44 19.43 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 128.379 2.895 . . . . 0.0 106.933 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.31 -32.15 18.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 176.582 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.0 168.47 10.22 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.49 2.716 . . . . 0.0 106.925 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.14 -20.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.995 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -80.39 11.54 3.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.286 2.234 . . . . 0.0 114.365 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.53 -8.11 66.14 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 120.759 3.064 . . . . 0.0 120.759 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -154.31 126.88 8.04 Favored 'General case' 0 N--CA 1.479 1.02 1 CA-C-N 124.49 4.145 . . . . 0.0 114.993 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -95.56 81.28 3.52 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 126.237 1.815 . . . . 0.0 107.899 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.47 -178.97 18.23 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.517 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -95.94 108.89 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.516 1.527 . . . . 0.0 109.424 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.03 150.75 39.43 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.431 1.093 . . . . 0.0 108.626 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 34.5 t -75.47 110.29 9.72 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -46.68 -45.72 19.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.386 0.994 . . . . 0.0 112.197 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.23 33.45 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.136 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -101.22 -16.1 17.11 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 75.88 8.21 3.61 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.685 1.594 . . . . 0.0 110.856 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -106.06 150.63 25.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.595 1.558 . . . . 0.0 111.517 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.62 168.73 12.46 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 129.325 3.05 . . . . 0.0 113.103 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.82 164.39 30.22 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.561 1.944 . . . . 0.0 107.89 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.6 p -125.66 -50.25 1.62 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.388 1.075 . . . . 0.0 108.537 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.2 -157.39 6.12 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 126.296 1.903 . . . . 0.0 111.63 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -68.81 169.11 18.4 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.546 2.164 . . . . 0.0 112.765 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 8.5 p90 -147.53 172.68 13.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.007 2.123 . . . . 0.0 108.536 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 48.2 tpp -118.29 147.19 43.7 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -133.79 138.5 50.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 125.949 1.699 . . . . 0.0 109.352 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.99 143.74 9.51 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.633 1.973 . . . . 0.0 105.805 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.44 25.39 34.11 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.578 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 75.68 6.22 3.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.298 2.239 . . . . 0.0 111.915 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.13 174.3 8.33 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.642 -1.286 . . . . 0.0 112.099 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -135.6 122.75 21.57 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.705 -1.247 . . . . 0.0 108.213 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.03 156.17 47.41 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 24.3 m170 -71.27 155.14 93.33 Favored Pre-proline 0 N--CA 1.471 0.586 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.908 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.88 -15.81 40.69 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.305 2.67 . . . . 0.0 112.549 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.92 8.86 44.56 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.602 1.161 . . . . 0.0 111.066 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.8 m -133.5 -18.66 2.18 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.479 ' CD2' ' HG2' ' A' ' 30' ' ' MET . 69.0 t80 -73.78 99.87 3.28 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.18 21.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.7 t -65.67 123.56 20.04 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.74 -34.31 74.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.525 1.966 . . . . 0.0 113.222 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -73.91 -24.8 59.74 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.742 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -124.4 -11.37 7.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -177.189 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 66.57 4.24 3.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.047 2.139 . . . . 0.0 114.777 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.742 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.7 p -76.94 136.91 23.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 121.48 1.946 . . . . 0.0 107.487 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.89 147.54 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.623 1.202 . . . . 0.0 108.975 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.26 97.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 102.706 -3.072 . . . . 0.0 102.706 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.74 160.84 24.88 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.451 1.501 . . . . 0.0 111.324 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.36 106.17 2.41 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.48 -17.29 6.17 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.908 1.718 . . . . 0.0 112.091 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.67 -174.5 3.92 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.702 1.251 . . . . 0.0 108.238 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.9 111.62 14.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 119.924 -1.735 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.37 -172.43 4.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 108.846 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.89 109.55 5.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 103.093 -2.929 . . . . 0.0 103.093 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.96 108.72 21.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.07 157.48 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.898 1.679 . . . . 0.0 107.125 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.61 -33.23 71.22 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.107 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -79.09 150.27 31.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 59.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.688 0.795 . . . . 0.0 110.779 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.7 m -140.17 118.66 12.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 128.739 2.816 . . . . 0.0 103.484 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.75 152.53 24.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.924 0.89 . . . . 0.0 111.825 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.54 173.9 11.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.098 0.559 . . . . 0.0 111.59 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.44 147.7 22.72 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.35 74.94 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.297 0.953 . . . . 0.0 112.719 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -64.03 -32.14 73.58 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.994 1.397 . . . . 0.0 112.37 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.76 -40.68 20.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.098 0.959 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -66.38 -21.17 66.23 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.156 0.889 . . . . 0.0 109.296 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.45 -36.49 80.54 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 121.128 -0.983 . . . . 0.0 108.853 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.29 -33.22 63.17 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.441 0.696 . . . . 0.0 110.223 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.57 -48.17 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -73.14 -28.74 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.103 0.411 . . . . 0.0 110.561 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -87.19 51.6 2.28 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.95 -174.12 27.85 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.21 1.862 . . . . 0.0 109.737 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.98 -166.29 0.34 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.926 3.084 . . . . 0.0 109.703 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -67.58 175.66 2.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.454 -0.778 . . . . 0.0 110.685 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -64.25 164.47 11.01 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.34 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 107.496 -2.241 . . . . 0.0 107.496 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t 58.14 37.33 26.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.473 1.109 . . . . 0.0 110.568 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.74 166.12 11.5 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.91 -165.0 11.17 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -121.3 155.2 35.21 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 122.321 1.058 . . . . 0.0 111.152 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.71 175.83 10.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 128.563 2.745 . . . . 0.0 106.452 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.26 -169.97 43.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -148.4 144.68 27.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -128.73 110.66 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.689 0.796 . . . . 0.0 110.681 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -97.24 -32.04 12.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -69.18 176.92 2.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.289 1.436 . . . . 0.0 111.11 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.36 -173.69 41.33 Favored Glycine 0 CA--C 1.522 0.527 0 O-C-N 121.229 -0.92 . . . . 0.0 111.048 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -135.17 168.3 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.401 1.48 . . . . 0.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -78.48 -22.29 47.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.775 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 168.77 35.43 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 123.701 0.667 . . . . 0.0 111.978 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -113.72 149.73 34.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.051 0.929 . . . . 0.0 110.268 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -127.77 151.91 48.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.887 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 24.4 t -63.88 117.51 7.07 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.49 -25.58 26.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.858 1.208 . . . . 0.0 110.677 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.39 -25.37 63.59 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 117.271 -1.85 . . . . 0.0 113.907 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 p -131.24 0.25 4.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 35.9 p 61.74 4.36 1.06 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.78 1.632 . . . . 0.0 114.1 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -94.79 149.1 21.59 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.517 -1.364 . . . . 0.0 108.536 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.8 159.52 30.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 129.291 3.036 . . . . 0.0 114.843 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 149.6 52.49 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.597 2.359 . . . . 0.0 105.3 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -133.58 -18.1 2.21 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.91 -148.09 16.05 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -71.49 157.19 56.88 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 121.654 1.57 . . . . 0.0 111.206 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -150.16 153.97 37.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.284 2.234 . . . . 0.0 106.333 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 40.8 tpp -91.68 142.37 27.69 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.35 128.69 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -170.68 154.91 4.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.303 1.041 . . . . 0.0 108.459 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.79 30.04 35.18 Favored Glycine 0 C--O 1.222 -0.644 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.715 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.27 23.2 pt-20 53.9 20.78 2.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.295 1.838 . . . . 0.0 114.392 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -123.6 -174.11 2.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.472 1.509 . . . . 0.0 109.237 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -128.82 130.17 46.61 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.139 0.976 . . . . 0.0 108.439 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -139.7 151.12 45.62 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 121.067 -1.02 . . . . 0.0 110.736 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 15.6 m170 -64.66 144.44 98.77 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.7 -36.54 51.61 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 CA-C-N 120.032 1.047 . . . . 0.0 112.083 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.67 2.63 7.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.438 1.095 . . . . 0.0 113.443 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.5 3.96 11.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.821 1.249 . . . . 0.0 110.735 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -87.26 98.11 11.15 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.83 158.2 39.04 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 32.0 t -63.8 124.68 22.12 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 117.533 -1.222 . . . . 0.0 107.74 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.4 mtp -56.99 -44.71 82.99 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.387 0.994 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m -67.18 -17.28 64.77 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.9 p -136.16 -7.89 2.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 50.08 65.21 1.5 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.268 1.427 . . . . 0.0 111.794 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -122.47 126.7 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -66.84 124.15 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.39 148.01 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 104.743 -2.317 . . . . 0.0 104.743 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -133.91 179.79 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.282 1.833 . . . . 0.0 108.157 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.44 43.97 0.25 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.987 1.315 . . . . 0.0 109.291 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.41 13.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.658 0 CA-C-O 117.836 -1.536 . . . . 0.0 114.359 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -132.36 130.83 41.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 120.65 2.225 . . . . 0.0 105.754 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 140.68 58.86 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.576 0.751 . . . . 0.0 112.144 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -133.39 163.24 29.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.35 24.9 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 119.66 40.08 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -97.08 120.5 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 38.27 48.66 1.19 Allowed 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 128.182 2.593 . . . . 0.0 114.026 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.9 m170 44.82 44.97 8.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.684 1.194 . . . . 0.0 109.844 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.43 -38.66 0.2 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -123.49 143.41 50.19 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.273 1.852 . . . . 0.0 112.322 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.1 tp -108.41 118.32 36.45 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 125.64 1.576 . . . . 0.0 112.145 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.51 170.72 11.15 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.562 1.145 . . . . 0.0 109.425 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.12 158.29 15.85 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.89 -44.61 94.31 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -58.37 -44.81 89.02 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.454 1.127 . . . . 0.0 110.668 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.267 1.5 m -64.47 -48.52 74.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.08 1.352 . . . . 0.0 110.89 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.52 -28.79 70.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.004 0.82 . . . . 0.0 110.461 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.4 -30.97 48.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.91 1.284 . . . . 0.0 110.255 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.25 -39.53 22.9 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.059 1.343 . . . . 0.0 112.299 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -17.02 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.46 -18.77 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 119.068 0.849 . . . . 0.0 110.43 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.01 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.05 149.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 C-N-CA 128.996 3.189 . . . . 0.0 113.365 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -81.61 119.84 3.42 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 N-CA-C 106.051 -2.327 . . . . 0.0 106.051 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -4.78 8.68 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.2 m -65.49 142.62 58.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.834 0.854 . . . . 0.0 109.835 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.404 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 179.756 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.254 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -107.14 160.86 15.26 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.613 1.165 . . . . 0.0 108.22 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -160.02 148.63 17.22 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.29 150.64 20.52 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p -148.81 41.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.747 0.819 . . . . 0.0 109.892 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 p -56.25 128.38 35.44 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.053 0.541 . . . . 0.0 110.076 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.25 -156.07 9.06 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -142.02 162.6 35.08 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -66.04 106.11 1.53 Allowed 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -163.61 -49.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.345 1.858 . . . . 0.0 109.824 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -64.64 108.1 1.6 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.655 1.182 . . . . 0.0 112.787 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.55 -87.07 0.24 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 105.377 -3.089 . . . . 0.0 105.377 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 174.72 151.01 0.1 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 128.153 2.581 . . . . 0.0 106.906 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -120.81 -67.47 0.97 Allowed 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.03 -152.84 10.31 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.955 1.264 . . . . 0.0 112.318 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -78.45 150.73 32.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 127.637 2.375 . . . . 0.0 108.269 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.34 151.46 48.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.019 -1.05 . . . . 0.0 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 7.2 t -72.27 104.39 3.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -40.6 -58.76 1.52 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.81 2.044 . . . . 0.0 111.177 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.51 53.75 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 117.499 -1.723 . . . . 0.0 116.051 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.3 p -113.57 -12.88 12.82 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.708 2.254 . . . . 0.0 116.715 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 65.3 47.8 2.29 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.72 1.145 . . . . 0.0 110.495 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -136.13 148.55 48.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.482 1.513 . . . . 0.0 108.278 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.03 156.12 29.1 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.35 1.86 . . . . 0.0 110.6 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -119.3 143.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.95 1.3 . . . . 0.0 108.271 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -116.29 -28.39 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.809 0.693 . . . . 0.0 109.313 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.61 177.2 21.2 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.236 1.398 . . . . 0.0 112.294 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.19 169.58 11.97 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 124.907 3.738 . . . . 0.0 113.229 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -149.92 173.22 14.04 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.914 1.286 . . . . 0.0 110.255 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 56.6 mtp -112.01 156.36 22.28 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.99 128.88 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 121.228 -0.92 . . . . 0.0 109.218 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.63 25.88 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.396 2.279 . . . . 0.0 107.307 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.64 33.99 35.02 Favored Glycine 0 C--O 1.221 -0.677 0 CA-C-O 117.368 -1.796 . . . . 0.0 114.443 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.288 2.1 pt-20 53.57 13.13 0.44 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.945 2.498 . . . . 0.0 116.616 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -122.56 168.32 12.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.442 1.474 . . . . 0.0 110.851 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -114.77 122.79 47.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.407 1.083 . . . . 0.0 110.222 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.99 160.59 30.63 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.528 1.131 . . . . 0.0 108.816 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 15.5 m80 -70.51 156.46 91.89 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.522 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.59 -6.43 16.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 124.188 3.259 . . . . 0.0 111.694 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -116.56 9.29 14.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.197 1.799 . . . . 0.0 111.336 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.7 m -143.47 40.99 1.46 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.938 1.295 . . . . 0.0 111.441 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -126.74 88.59 2.85 Favored 'General case' 0 C--N 1.324 -0.513 1 N-CA-C 98.571 -4.603 . . . . 0.0 98.571 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.35 163.36 33.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.89 123.46 19.03 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.919 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttm -57.61 -38.33 74.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.939 1.7 . . . . 0.0 112.258 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -73.77 -19.18 60.85 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.663 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -135.67 -5.8 2.22 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -179.019 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.78 3.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.18 2.192 . . . . 0.0 114.725 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -69.67 132.02 33.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 120.745 1.611 . . . . 0.0 108.474 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.2 mm -60.77 138.33 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.857 1.663 . . . . 0.0 109.368 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.88 123.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 103.36 -2.829 . . . . 0.0 103.36 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -116.34 173.3 6.67 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.182 1.793 . . . . 0.0 108.447 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.97 92.62 1.29 Allowed 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.32 -25.92 1.55 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.36 1.457 . . . . 0.0 111.185 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.48 145.65 26.16 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.08 119.35 24.38 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.744 -0.598 . . . . 0.0 111.75 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -95.7 164.71 12.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.684 1.193 . . . . 0.0 107.915 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.9 109.43 4.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.95 135.42 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -130.03 125.67 60.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.415 0.552 . . . . 0.0 109.921 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 34.35 44.65 0.11 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 129.422 3.089 . . . . 0.0 114.004 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p80 39.03 36.23 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.159 1.783 . . . . 0.0 113.01 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.64 -11.92 0.69 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.222 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -148.17 159.93 43.44 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.909 1.231 . . . . 0.0 108.891 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.0 tp -131.51 136.13 47.63 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.913 1.685 . . . . 0.0 108.224 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.58 175.33 9.52 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.347 1.459 . . . . 0.0 110.089 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.3 153.23 18.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.95 97.21 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.068 0.849 . . . . 0.0 112.703 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -65.63 -28.45 69.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.964 -1.315 . . . . 0.0 113.309 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.335 78.5 m -93.74 -31.67 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.126 0.97 . . . . 0.0 110.541 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -69.24 -25.66 64.4 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.8 -34.43 69.61 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.242 1.417 . . . . 0.0 110.554 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.61 -29.49 68.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.787 1.235 . . . . 0.0 111.048 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 -49.61 56.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 125.166 1.387 . . . . 0.0 109.421 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 m -75.55 -15.42 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.081 0.552 . . . . 0.0 112.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.13 0.69 1.22 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.284 1.434 . . . . 0.0 114.698 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.1 177.25 42.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.75 1.167 . . . . 0.0 110.375 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.46 111.93 1.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.686 2.924 . . . . 0.0 108.157 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -71.69 -33.29 68.68 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 118.353 -0.832 . . . . 0.0 113.212 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.6 m -76.77 169.03 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 120.024 1.284 . . . . 0.0 110.246 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 178.526 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.613 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -136.83 175.71 9.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 108.497 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -165.0 -168.96 1.55 Allowed 'General case' 0 C--O 1.243 0.713 0 C-N-CA 126.546 1.938 . . . . 0.0 106.578 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 166.44 32.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 127.319 2.39 . . . . 0.0 109.029 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -139.99 164.53 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.07 1.748 . . . . 0.0 108.233 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -135.76 -174.15 3.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.719 1.607 . . . . 0.0 107.769 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 145.05 4.05 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -145.25 59.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.496 1.518 . . . . 0.0 108.629 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -79.29 157.2 27.78 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.11 -23.38 0.25 Allowed 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.499 -0.751 . . . . 0.0 112.733 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -68.34 107.53 2.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.6 143.62 14.6 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -178.49 4.13 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -83.81 7.77 16.89 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.472 -0.767 . . . . 0.0 111.562 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.94 -175.63 39.16 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-O 122.229 0.905 . . . . 0.0 111.284 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -84.03 145.13 28.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.779 0.832 . . . . 0.0 110.573 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -128.21 155.26 44.8 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.369 1.467 . . . . 0.0 110.627 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t -71.38 109.98 5.71 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -47.24 -39.34 14.03 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.663 1.185 . . . . 0.0 110.242 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 -34.76 78.13 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-O 116.663 -2.187 . . . . 0.0 116.037 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 15.1 p -116.2 -8.46 11.74 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 81.11 -16.12 0.67 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.809 1.64 . . . . 0.0 111.954 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.46 144.69 30.28 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.957 -1.09 . . . . 0.0 109.766 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.95 163.26 27.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.59 2.356 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.42 101.5 6.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.4 p -82.4 73.13 9.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.96 -151.52 23.15 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.6 169.3 14.62 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 123.389 2.726 . . . . 0.0 112.891 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -148.12 163.92 35.47 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 126.119 1.767 . . . . 0.0 109.798 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.4 ttt -113.65 140.78 47.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.13 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.72 134.84 14.9 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.016 1.726 . . . . 0.0 106.652 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.86 10.6 32.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.894 -0.948 . . . . 0.0 112.89 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 87.43 -9.48 0.59 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 130.155 3.382 . . . . 0.0 112.604 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.0 177.55 8.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.303 1.841 . . . . 0.0 109.814 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -137.9 129.44 28.07 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.171 0.896 . . . . 0.0 111.516 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -139.73 159.07 43.02 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.862 0.865 . . . . 0.0 111.668 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 21.8 m80 -68.27 149.38 98.11 Favored Pre-proline 0 N--CA 1.473 0.677 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.25 -51.39 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 123.823 3.015 . . . . 0.0 112.606 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.06 -42.64 90.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 122.27 1.033 . . . . 0.0 110.184 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.33 13.1 1.0 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -110.31 82.05 1.53 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 101.018 -3.697 . . . . 0.0 101.018 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.97 167.24 20.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 112.614 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.1 t -77.52 123.79 27.05 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.99 -49.76 76.4 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 120.395 1.452 . . . . 0.0 108.671 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -57.85 -22.85 50.03 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -137.46 -7.01 1.74 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.176 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 71.78 -7.85 1.19 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 128.743 2.817 . . . . 0.0 115.438 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.3 p -63.27 137.95 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 120.786 1.63 . . . . 0.0 110.256 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -70.83 147.36 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.833 1.653 . . . . 0.0 106.787 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -121.89 94.51 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.752 1.16 . . . . 0.0 108.577 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -78.12 172.09 14.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.305 1.042 . . . . 0.0 109.565 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -11.91 3.19 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.77 -17.43 44.65 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 118.038 -1.424 . . . . 0.0 114.866 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.51 140.19 39.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.838 1.819 . . . . 0.0 109.517 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.42 106.8 2.64 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.536 1.134 . . . . 0.0 113.375 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -85.74 -173.54 4.67 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.51 1.124 . . . . 0.0 108.322 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.79 152.31 34.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.98 99.49 4.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.18 130.72 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -55.91 -6.83 0.25 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.53 2.332 . . . . 0.0 114.524 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -67.76 -0.61 4.28 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.595 2.358 . . . . 0.0 113.112 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 80.09 7.86 1.56 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.742 2.817 . . . . 0.0 112.225 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -113.82 150.66 33.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.312 1.445 . . . . 0.0 109.233 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.85 141.39 40.97 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.364 1.465 . . . . 0.0 108.298 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.29 159.33 42.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.01 1.724 . . . . 0.0 110.017 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.13 157.39 16.31 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 102.311 -3.218 . . . . 0.0 102.311 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.37 -46.54 52.19 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 118.599 -1.112 . . . . 0.0 111.844 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' H ' ' HD2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.78 -51.06 70.95 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.985 1.392 . . . . 0.0 111.527 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.39 -38.41 86.97 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.265 1.026 . . . . 0.0 111.769 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -69.53 -39.15 77.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.69 -17.28 60.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.517 1.127 . . . . 0.0 111.743 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.56 -48.97 11.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.445 -0.784 . . . . 0.0 111.515 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.69 -37.58 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 122.808 0.443 . . . . 0.0 112.176 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.6 m -62.08 -11.38 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -8.15 54.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.309 -0.87 . . . . 0.0 112.41 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.63 168.13 33.22 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 120.389 1.449 . . . . 0.0 113.003 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -78.47 60.99 7.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 125.063 3.842 . . . . 0.0 112.252 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 m -63.59 146.89 52.85 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.518 0.727 . . . . 0.0 109.229 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.28 176.22 12.21 Favored 'General case' 0 N--CA 1.462 0.128 0 O-C-N 120.848 -1.157 . . . . 0.0 110.157 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 107.588 -2.205 . . . . 0.0 107.588 179.592 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -62.08 138.27 58.37 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.582 1.153 . . . . 0.0 107.949 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -65.44 -47.48 76.03 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.496 0.589 . . . . 0.0 110.533 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.04 92.71 0.09 OUTLIER Glycine 0 C--N 1.334 0.42 0 N-CA-C 108.441 -1.863 . . . . 0.0 108.441 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -144.39 169.72 17.39 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 118.69 1.245 . . . . 0.0 112.082 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -77.08 173.32 11.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.373 0.606 . . . . 0.0 109.565 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.12 61.47 0.05 OUTLIER Glycine 0 CA--C 1.519 0.323 0 N-CA-C 107.977 -2.049 . . . . 0.0 107.977 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -150.47 138.75 20.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -140.44 166.06 25.74 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.19 1.396 . . . . 0.0 107.698 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -79.79 -26.87 40.45 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -75.67 129.66 37.49 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.4 143.91 11.24 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 106.06 -2.816 . . . . 0.0 106.06 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -151.54 163.38 39.15 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.51 10.8 23.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.524 1.53 . . . . 0.0 114.178 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.7 -148.33 8.39 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.644 1.565 . . . . 0.0 113.346 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -139.19 166.44 24.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.281 1.832 . . . . 0.0 109.613 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -128.95 163.95 24.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.687 2.795 . . . . 0.0 109.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 41.4 t -69.55 112.83 6.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 116.616 -1.659 . . . . 0.0 108.134 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -64.83 19.8 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.182 1.793 . . . . 0.0 114.818 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -126.82 -36.16 0.53 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 128.939 3.161 . . . . 0.0 110.13 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.63 -2.7 7.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m 67.33 -3.35 1.05 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.573 1.949 . . . . 0.0 113.497 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.0 153.91 22.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 120.48 1.491 . . . . 0.0 108.313 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.31 158.64 36.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.136 2.175 . . . . 0.0 113.555 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -121.32 154.34 36.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 127.671 2.389 . . . . 0.0 106.202 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -143.05 -8.01 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.587 0.755 . . . . 0.0 112.448 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.31 -148.15 7.36 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.129 1.347 . . . . 0.0 111.173 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.02 165.68 29.3 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.048 1.832 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -147.93 173.45 12.85 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.16 1.784 . . . . 0.0 106.88 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 95.9 mtp -120.0 147.95 44.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -109.44 127.59 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.12 142.43 11.69 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.58 33.4 54.45 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.135 -1.37 . . . . 0.0 112.754 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.271 8.1 pt-20 60.28 -5.13 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.981 2.912 . . . . 0.0 115.887 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.52 -171.99 2.4 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.121 1.368 . . . . 0.0 111.236 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -134.0 138.59 45.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.219 1.407 . . . . 0.0 108.492 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -147.44 164.26 33.92 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.502 1.121 . . . . 0.0 108.674 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 26.7 m80 -63.89 154.35 81.55 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 117.998 -1.481 . . . . 0.0 112.259 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.36 -5.63 16.43 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 125.116 3.877 . . . . 0.0 113.349 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -114.32 9.6 16.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.876 2.07 . . . . 0.0 111.079 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.273 7.2 m -121.57 -4.31 9.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.468 -1.395 . . . . 0.0 114.495 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -87.67 91.68 8.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 102.299 -3.223 . . . . 0.0 102.299 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.63 153.06 51.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.33 1.052 . . . . 0.0 111.635 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -68.25 123.77 21.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.44 -30.7 71.42 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.626 1.103 . . . . 0.0 111.915 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -33.03 69.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.3 p -124.04 -10.58 7.63 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.113 1.524 . . . . 0.0 115.113 -177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp 66.28 7.49 4.93 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.159 1.784 . . . . 0.0 115.315 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.569 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.8 p -73.86 142.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 105.358 -2.089 . . . . 0.0 105.358 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.1 mm -69.05 148.61 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.59 102.53 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 103.543 -2.762 . . . . 0.0 103.543 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.8 171.54 7.72 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.1 10.59 0.28 Allowed 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.036 -1.04 . . . . 0.0 112.477 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.0 28.1 4.18 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.408 1.956 . . . . 0.0 116.813 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -131.69 177.04 7.82 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.585 2.692 . . . . 0.0 108.272 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.55 144.06 36.72 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.366 -0.834 . . . . 0.0 109.292 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -136.4 169.34 17.83 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.153 0.981 . . . . 0.0 109.856 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.69 130.31 16.92 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.7 mt -98.82 119.88 38.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.73 124.88 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 38.85 46.08 1.02 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.283 2.233 . . . . 0.0 112.001 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 44.03 23.84 0.07 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.959 2.903 . . . . 0.0 114.765 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.39 -6.06 2.28 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.6 m -136.15 140.43 43.64 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 tp -118.69 128.79 54.85 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.07 0.948 . . . . 0.0 112.201 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -133.44 161.69 33.89 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.982 0.913 . . . . 0.0 110.569 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.11 161.59 14.69 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -48.69 44.07 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.816 0.735 . . . . 0.0 113.135 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -62.78 -36.05 81.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.688 1.244 . . . . 0.0 112.845 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.84 -51.11 11.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.655 1.182 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.61 -30.56 68.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.988 0.813 . . . . 0.0 110.743 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -60.94 -22.99 64.94 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.945 -0.472 . . . . 0.0 111.931 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -79.67 -42.26 25.15 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.922 1.289 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.69 -24.27 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.82 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -95.42 -14.0 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.283 0.947 . . . . 0.0 111.961 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.8 t -69.65 154.72 41.59 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.76 -146.48 50.35 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.01 106.92 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.479 2.119 . . . . 0.0 111.72 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.7 m -178.04 165.77 1.95 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 129.953 3.301 . . . . 0.0 107.838 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.1 p -120.45 178.02 4.82 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.05 0.94 . . . . 0.0 113.525 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.461 0 O-C-N 120.264 -1.523 . . . . 0.0 112.107 179.447 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -150.6 106.2 3.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -145.16 148.86 34.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.21 1.404 . . . . 0.0 108.838 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.49 66.32 0.01 OUTLIER Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 t -144.76 -173.52 4.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.261 2.224 . . . . 0.0 106.883 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -161.61 155.16 21.46 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 127.644 2.378 . . . . 0.0 105.784 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.41 175.2 32.93 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -116.45 165.87 12.72 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -117.2 91.3 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.43 1.492 . . . . 0.0 107.981 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -117.61 -20.78 8.84 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.426 1.49 . . . . 0.0 112.989 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -71.29 165.91 22.7 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.48 13.9 59.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 120.863 -1.148 . . . . 0.0 114.28 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 163.96 4.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.128 1.464 . . . . 0.0 111.876 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -126.56 -19.11 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.821 1.648 . . . . 0.0 112.211 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.86 -172.49 29.33 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 118.895 0.771 . . . . 0.0 112.582 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.17 149.46 22.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.22 1.808 . . . . 0.0 109.655 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -128.54 150.96 49.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.661 1.985 . . . . 0.0 107.715 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -55.55 116.88 3.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.739 1.154 . . . . 0.0 110.053 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -73.53 31.12 0.07 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.87 1.668 . . . . 0.0 112.849 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.16 -31.77 0.32 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 128.044 2.735 . . . . 0.0 110.626 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -129.73 -0.78 4.85 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m 70.69 -8.52 0.91 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.436 1.494 . . . . 0.0 113.49 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 154.32 22.65 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.313 1.869 . . . . 0.0 111.319 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 26' ' ' THR . 25.1 tp -68.96 143.69 54.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 127.335 2.254 . . . . 0.0 112.93 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -20.25 49.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.242 1.017 . . . . 0.0 111.963 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.51 ' H ' ' HG ' ' A' ' 24' ' ' LEU . 64.0 p 55.11 35.13 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.793 1.637 . . . . 0.0 111.584 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.4 -108.37 0.69 Allowed Glycine 0 CA--C 1.527 0.799 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.828 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.84 153.72 58.67 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.902 2.401 . . . . 0.0 114.681 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -149.88 175.07 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 128.722 2.809 . . . . 0.0 107.811 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.3 mtp -118.69 149.79 40.83 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -124.43 130.0 73.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.783 0.833 . . . . 0.0 110.955 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.99 132.96 15.15 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.44 18.66 58.9 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 76.41 -3.41 2.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.439 2.695 . . . . 0.0 111.545 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -79.17 164.13 24.47 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.243 1.817 . . . . 0.0 110.516 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -119.61 125.13 48.02 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.787 0.835 . . . . 0.0 111.516 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -137.26 154.91 50.03 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.351 0.66 . . . . 0.0 110.28 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -67.9 150.65 97.69 Favored Pre-proline 0 N--CA 1.48 1.044 0 CA-C-O 117.012 -1.471 . . . . 0.0 108.196 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.83 -46.54 19.33 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.546 2.164 . . . . 0.0 111.425 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.14 1.34 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.151 -0.968 . . . . 0.0 113.158 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -120.58 1.18 10.59 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.235 1.414 . . . . 0.0 112.084 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -91.07 98.55 11.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 100.494 -3.891 . . . . 0.0 100.494 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.33 160.89 39.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 35.2 t -65.27 123.06 18.58 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.75 -31.63 69.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.854 1.207 . . . . 0.0 112.073 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -44.09 40.97 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.615 1.566 . . . . 0.0 114.72 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 49' ' ' VAL . 3.7 p -105.99 -5.89 19.2 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 62.35 -0.27 0.53 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.742 2.417 . . . . 0.0 116.192 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.8 p -68.1 143.9 14.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-N 120.688 1.586 . . . . 0.0 108.856 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.24 139.08 20.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -105.68 110.84 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 101.98 -3.341 . . . . 0.0 101.98 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.98 164.69 10.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.936 0.494 . . . . 0.0 111.148 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.19 50.63 0.92 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.171 2.188 . . . . 0.0 109.87 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.65 -21.11 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 128.711 3.053 . . . . 0.0 110.901 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.77 149.82 48.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.764 1.782 . . . . 0.0 109.071 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 86.09 1.07 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.802 0.811 . . . . 0.0 109.733 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -78.88 169.95 17.44 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.069 1.348 . . . . 0.0 109.565 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.95 109.34 3.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tp -90.6 156.57 18.04 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 62' ' ' HIS . 90.5 t -127.04 159.94 36.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 125.016 1.326 . . . . 0.0 108.475 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -60.79 1.45 0.14 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 0.0 113.133 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 60' ' ' VAL . 32.6 t60 -111.89 167.47 10.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.046 2.938 . . . . 0.0 108.488 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.52 67.04 7.33 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.5 m -149.9 152.2 34.66 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 120.47 -1.394 . . . . 0.0 109.21 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 tp -128.77 142.15 51.08 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.328 1.851 . . . . 0.0 109.184 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.68 169.31 17.74 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.564 1.146 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.9 160.28 14.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.34 -44.56 89.67 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.044 0.838 . . . . 0.0 112.985 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -59.32 5.55 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.215 1.008 . . . . 0.0 109.738 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.28 63.6 m -59.0 -32.71 69.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.28 1.032 . . . . 0.0 112.606 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -64.07 -39.56 94.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.818 1.19 . . . . 0.0 109.021 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -70.04 -40.26 75.25 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -60.97 -25.65 67.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.205 1.802 . . . . 0.0 112.932 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.81 -41.47 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.128 0.877 . . . . 0.0 110.883 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.45 -27.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.106 0.866 . . . . 0.0 111.729 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.2 m -66.17 155.55 36.63 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.662 0.665 . . . . 0.0 111.111 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.64 -96.93 0.16 Allowed Glycine 0 CA--C 1.523 0.541 0 CA-C-O 118.642 -1.088 . . . . 0.0 112.964 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -89.43 -164.4 0.16 Allowed 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 124.188 3.259 . . . . 0.0 111.107 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.73 1.16 0.27 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.58 1.952 . . . . 0.0 114.736 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.5 p -63.09 -11.61 21.14 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.76 1.618 . . . . 0.0 113.237 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.913 0 C-N-CA 124.783 1.182 . . . . 0.0 111.387 178.86 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.764 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -162.66 -178.19 6.04 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.427 2.291 . . . . 0.0 106.661 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -147.71 128.49 14.32 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 108.948 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 103.97 0.19 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.488 1.042 . . . . 0.0 111.008 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -143.28 137.87 29.16 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -159.66 163.95 34.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 110.855 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 -175.1 15.68 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.084 -2.407 . . . . 0.0 107.084 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -160.14 139.36 10.87 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -101.74 177.93 4.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.014 1.326 . . . . 0.0 111.64 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -158.96 -172.56 3.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.826 3.251 . . . . 0.0 106.19 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -142.95 162.94 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.108 -1.62 . . . . 0.0 107.981 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.29 -166.69 32.73 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 118.638 0.654 . . . . 0.0 112.063 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -55.09 130.94 43.81 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.291 1.436 . . . . 0.0 107.86 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -61.21 -54.25 46.64 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.89 -162.76 45.36 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 122.299 0.944 . . . . 0.0 112.838 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -115.61 109.06 17.22 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -72.84 129.01 37.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.115 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.91 114.77 6.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.133 -1.413 . . . . 0.0 108.021 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.12 -23.35 46.53 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.662 1.119 . . . . 0.0 110.021 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.21 -27.48 63.91 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.973 -1.459 . . . . 0.0 113.747 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.08 -1.55 1.95 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 58.8 52.71 6.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.827 1.194 . . . . 0.0 110.362 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -142.67 154.99 44.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.805 1.242 . . . . 0.0 108.412 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 tp -73.76 122.63 22.72 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.608 1.963 . . . . 0.0 113.042 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.6 ptp -83.98 152.56 24.38 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -136.56 -11.85 1.82 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.18 -152.61 10.67 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.112 1.339 . . . . 0.0 109.854 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.31 169.53 12.23 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.16 2.573 . . . . 0.0 110.971 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -140.57 172.32 12.88 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.333 0.653 . . . . 0.0 112.608 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 91.5 mtp -131.75 162.66 29.97 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -134.41 141.83 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 125.063 1.345 . . . . 0.0 107.82 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.69 123.99 8.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.23 32.33 71.61 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-O 119.107 -0.829 . . . . 0.0 114.241 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 74.46 6.6 4.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.526 1.13 . . . . 0.0 111.741 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -106.76 159.15 16.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.364 . . . . 0.0 109.344 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -105.64 122.58 46.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.257 1.023 . . . . 0.0 112.214 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -133.34 149.6 51.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.187 1.395 . . . . 0.0 110.655 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -78.28 155.56 79.31 Favored Pre-proline 0 N--CA 1.476 0.874 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -59.61 -47.85 15.01 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 124.138 3.226 . . . . 0.0 112.616 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.39 4.42 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.68 1.992 . . . . 0.0 114.886 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.17 4.6 2.48 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.51 1.524 . . . . 0.0 110.586 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.62 85.27 7.45 Favored 'General case' 0 N--CA 1.45 -0.46 1 N-CA-C 98.324 -4.695 . . . . 0.0 98.324 177.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -140.41 154.07 46.55 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.025 -1.047 . . . . 0.0 113.683 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.553 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 11.2 t -63.67 123.76 19.67 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.43 ' HG3' HG23 ' A' ' 64' ' ' THR . 6.7 mmt -56.01 -49.38 73.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.118 0.872 . . . . 0.0 111.828 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -62.17 -26.28 68.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -126.35 -11.1 6.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -176.612 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp 50.18 63.5 2.17 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.222 1.809 . . . . 0.0 111.82 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.9 p -124.65 133.54 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.32 135.44 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.59 92.74 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 100.996 -3.705 . . . . 0.0 100.996 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.17 174.54 6.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.236 0.541 . . . . 0.0 109.85 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.93 -12.01 4.03 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.349 1.459 . . . . 0.0 113.932 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.0 -8.92 38.24 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 117.487 -1.729 . . . . 0.0 113.833 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.51 150.96 23.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.638 2.219 . . . . 0.0 108.371 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.61 87.04 5.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.52 0.676 . . . . 0.0 110.66 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.66 169.03 19.04 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.809 0.844 . . . . 0.0 111.252 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.44 153.16 40.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.156 1.782 . . . . 0.0 107.767 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -133.33 127.08 32.76 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.722 1.209 . . . . 0.0 110.581 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 62' ' ' HIS . 54.1 t -93.86 158.53 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.81 -17.87 10.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.473 ' H ' HG12 ' A' ' 60' ' ' VAL . 16.8 m170 -88.57 -179.66 6.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.688 1.995 . . . . 0.0 110.315 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.24 49.18 1.09 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 45' ' ' MET . 18.6 m -143.57 143.71 31.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.249 1.019 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.64 144.31 48.83 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.41 176.06 8.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 122.397 1.094 . . . . 0.0 109.261 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.74 161.46 14.32 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.18 -44.62 93.15 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.754 1.161 . . . . 0.0 112.233 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -61.14 -33.03 72.75 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.834 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.253 1.3 m -79.32 -42.94 24.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.188 1.795 . . . . 0.0 110.483 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -66.14 -41.91 89.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.563 1.074 . . . . 0.0 110.81 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.46 -21.07 61.92 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.565 0.746 . . . . 0.0 111.964 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -85.96 -44.37 12.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.308 1.043 . . . . 0.0 110.509 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 m -66.08 -37.07 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.042 -1.036 . . . . 0.0 111.838 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.2 -23.79 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 118.966 0.803 . . . . 0.0 111.489 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.3 t -73.88 -0.83 17.21 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.089 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 17.51 80.12 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.953 3.644 . . . . 0.0 114.426 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.96 -30.85 92.64 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.09 1.86 . . . . 0.0 112.755 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 p -120.84 -177.56 3.51 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.803 2.441 . . . . 0.0 110.265 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -58.42 -19.75 38.92 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.295 1.038 . . . . 0.0 113.423 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.204 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -147.86 138.85 23.35 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m 55.37 30.17 14.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.264 1.026 . . . . 0.0 110.775 -177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.06 128.65 48.11 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -54.78 128.2 31.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 p -142.01 158.2 44.05 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.776 1.63 . . . . 0.0 107.585 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.78 -80.7 1.51 Allowed Glycine 0 CA--C 1.518 0.265 0 N-CA-C 103.992 -3.643 . . . . 0.0 103.992 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -76.69 151.59 36.05 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -148.95 63.67 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 123.146 1.451 . . . . 0.0 108.308 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -64.75 -14.29 58.27 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.055 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -71.07 -19.19 62.51 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.841 1.256 . . . . 0.0 111.291 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.75 -130.73 3.16 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 126.025 1.774 . . . . 0.0 112.733 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -143.59 116.83 8.99 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -139.68 -28.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.583 0.753 . . . . 0.0 112.856 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.25 -176.49 44.49 Favored Glycine 0 C--O 1.238 0.352 0 CA-C-N 119.234 0.925 . . . . 0.0 112.41 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 154.83 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.957 1.303 . . . . 0.0 108.097 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -128.46 147.7 50.69 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.606 1.562 . . . . 0.0 107.768 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 t -68.7 109.62 3.9 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.527 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -50.36 -40.77 50.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.232 1.833 . . . . 0.0 111.276 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.93 -34.63 30.73 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.368 -1.24 . . . . 0.0 113.632 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.7 p -122.72 -10.26 8.32 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.308 1.554 . . . . 0.0 114.35 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m 70.48 0.12 3.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.735 2.814 . . . . 0.0 113.417 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.96 159.52 18.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.558 1.072 . . . . 0.0 109.23 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 25' ' ' MET . 49.4 tp -62.63 164.12 8.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.46 1.904 . . . . 0.0 111.578 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.405 ' H ' HD12 ' A' ' 24' ' ' LEU . 24.0 ptp -125.27 152.09 45.1 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.035 2.134 . . . . 0.0 106.393 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.7 p -115.87 -6.09 12.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.24 -133.98 1.94 Allowed Glycine 0 CA--C 1.526 0.747 0 CA-C-O 118.29 -1.283 . . . . 0.0 110.162 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -65.56 170.14 11.59 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.452 2.768 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.64 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 6.5 p90 -142.34 169.01 18.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 127.281 2.232 . . . . 0.0 107.167 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.5 mtp -116.23 128.69 55.81 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.17 129.17 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.59 140.47 17.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.27 22.92 23.91 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.789 -1.006 . . . . 0.0 113.889 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 75.19 11.75 3.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.28 2.232 . . . . 0.0 112.468 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.71 179.04 5.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.305 1.842 . . . . 0.0 112.304 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 25.3 mmtp -132.76 122.09 24.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.589 1.556 . . . . 0.0 107.817 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.87 150.52 50.47 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -61.5 149.92 82.37 Favored Pre-proline 0 N--CA 1.473 0.715 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.267 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 -5.64 17.47 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.295 3.33 . . . . 0.0 113.663 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -118.12 16.4 14.11 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.582 1.953 . . . . 0.0 109.306 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.7 m -135.54 3.16 3.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -83.87 115.7 22.4 Favored 'General case' 0 C--N 1.328 -0.328 1 N-CA-C 100.125 -4.028 . . . . 0.0 100.125 177.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.74 159.96 43.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.281 0.946 . . . . 0.0 112.518 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.9 t -66.47 123.33 19.72 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 100.54 -3.874 . . . . 0.0 100.54 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -58.2 -54.24 49.26 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 121.482 1.946 . . . . 0.0 108.507 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -59.08 3.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.747 2.019 . . . . 0.0 113.462 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -91.36 -9.58 44.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.399 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt 64.42 -0.09 0.98 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.868 2.467 . . . . 0.0 115.628 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.621 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.0 p -70.68 143.87 14.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 120.694 1.588 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.0 mm -66.0 144.09 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 124.683 1.193 . . . . 0.0 109.064 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -114.74 139.75 39.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -126.77 175.76 7.76 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 126.53 1.932 . . . . 0.0 109.115 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.48 49.96 1.39 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 123.065 1.412 . . . . 0.0 107.973 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' ASP . . . -157.86 -11.33 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 C-N-CA 127.696 2.569 . . . . 0.0 112.025 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLY . 5.5 t70 -92.66 -150.54 0.27 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.73 31.35 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -144.62 166.75 24.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 111.792 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.5 125.02 11.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.187 1.395 . . . . 0.0 108.9 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 146.0 24.98 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.71 160.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 126.503 1.921 . . . . 0.0 108.85 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 61' ' ' GLN . 26.8 mp0 -52.08 -57.0 10.89 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.657 1.583 . . . . 0.0 108.235 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.85 146.98 53.83 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.78 62.11 0.1 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.205 2.202 . . . . 0.0 112.479 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -139.32 135.88 34.24 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.0 tp -108.83 138.79 44.6 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.931 1.292 . . . . 0.0 108.632 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -133.98 163.11 30.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.477 1.111 . . . . 0.0 109.238 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.37 162.46 14.25 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.77 16.58 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.885 1.231 . . . . 0.0 113.367 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.65 -52.19 61.83 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.017 0.909 . . . . 0.0 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.284 1.5 m -56.52 -43.48 79.82 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.892 1.277 . . . . 0.0 111.416 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -68.82 -37.02 78.93 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.831 1.196 . . . . 0.0 108.762 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.82 -12.1 22.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.672 0.789 . . . . 0.0 111.413 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -100.2 -45.55 5.59 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -23.42 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.237 1.015 . . . . 0.0 113.092 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.9 m -69.62 -12.17 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 O-C-N 121.148 -0.97 . . . . 0.0 110.792 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.6 t -71.2 142.91 50.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.83 162.01 46.06 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -70.01 160.62 48.96 Favored 'Trans proline' 0 C--O 1.24 0.612 0 C-N-CA 122.706 2.271 . . . . 0.0 112.156 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -85.14 153.33 22.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.55 173.28 7.24 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.942 0.877 . . . . 0.0 110.288 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 N-CA-C 105.692 -2.963 . . . . 0.0 105.692 179.124 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -74.07 133.47 42.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -161.72 163.89 29.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.67 169.82 18.37 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -157.37 125.63 5.55 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.473 0.709 . . . . 0.0 110.574 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -79.58 168.89 18.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.24 0.616 . . . . 0.0 109.766 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.18 30.12 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.869 0.747 . . . . 0.0 111.691 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -158.72 -77.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -92.36 152.39 19.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -163.02 -22.08 0.04 OUTLIER 'General case' 0 C--O 1.236 0.373 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -69.22 -21.04 63.96 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.272 0.942 . . . . 0.0 111.307 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.29 85.74 0.56 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -148.64 81.39 1.45 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.3 32.31 0.15 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.35 1.86 . . . . 0.0 111.575 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -167.04 40.45 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 127.217 2.342 . . . . 0.0 111.414 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -98.24 143.45 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.959 1.304 . . . . 0.0 109.199 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -129.28 160.18 33.81 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.798 2.039 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.9 t -73.65 106.95 5.63 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -46.9 -42.35 17.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.743 1.156 . . . . 0.0 113.31 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.13 -27.6 71.68 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.456 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 2.2 p -120.59 -7.12 9.68 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t 70.82 -13.0 0.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.735 1.614 . . . . 0.0 114.052 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.35 148.18 37.61 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 119.853 -1.779 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.91 153.01 25.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.393 1.477 . . . . 0.0 110.509 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.7 ptp -107.53 -50.8 3.01 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.253 7.5 t 43.87 29.58 0.32 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.061 2.144 . . . . 0.0 113.198 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.64 -146.46 4.86 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.211 1.386 . . . . 0.0 111.843 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.55 154.91 61.63 Favored 'Trans proline' 0 C--O 1.241 0.628 0 C-N-CA 122.748 2.299 . . . . 0.0 112.847 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.3 167.68 25.41 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 125.898 1.679 . . . . 0.0 111.237 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.7 mtp -128.52 147.98 50.72 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.65 129.79 74.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 125.0 1.32 . . . . 0.0 112.366 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.34 140.74 15.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.55 20.37 51.39 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.788 -1.007 . . . . 0.0 113.915 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 77.79 5.21 2.91 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.443 2.697 . . . . 0.0 113.353 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -101.53 -177.58 3.47 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.011 1.324 . . . . 0.0 108.614 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -132.18 140.97 48.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -141.51 156.87 45.7 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.75 0.82 . . . . 0.0 110.64 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 38.1 m80 -70.87 147.24 94.01 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -62.8 -31.91 78.03 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.522 2.148 . . . . 0.0 109.935 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.94 -8.67 16.6 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.203 -1.561 . . . . 0.0 111.837 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.96 -4.21 12.6 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.331 1.853 . . . . 0.0 112.619 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -89.5 94.3 9.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.84 167.36 24.97 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 4.2 t -85.57 123.56 31.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 mmt -61.98 -57.6 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.62 1.168 . . . . 0.0 109.01 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.69 -19.11 5.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.471 1.909 . . . . 0.0 115.567 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -130.6 -10.61 4.0 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 52.09 58.76 5.1 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 127.695 2.398 . . . . 0.0 111.692 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.4 p -124.25 137.85 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.31 140.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mt -102.23 108.83 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.29 156.31 35.76 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.71 106.14 3.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.55 -26.4 1.97 Allowed Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.362 -1.244 . . . . 0.0 110.442 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -86.07 153.67 21.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.568 1.684 . . . . 0.0 108.422 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.81 148.25 32.96 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.01 -1.056 . . . . 0.0 111.325 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -143.07 168.21 20.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.741 1.216 . . . . 0.0 109.31 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.59 139.83 29.87 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.04 114.35 26.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -94.22 108.07 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' ALA . 1.6 mp0 48.33 28.42 1.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.026 2.13 . . . . 0.0 113.064 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 m170 71.5 -36.03 0.35 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.909 2.483 . . . . 0.0 110.942 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -59.01 -29.5 67.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.957 2.103 . . . . 0.0 114.622 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.34 155.83 49.94 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.911 1.232 . . . . 0.0 111.066 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -126.22 134.14 51.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.079 1.752 . . . . 0.0 107.833 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -134.89 161.44 35.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.674 1.59 . . . . 0.0 108.966 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.2 161.85 14.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.62 -48.59 60.57 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.608 1.095 . . . . 0.0 112.246 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -58.49 -58.37 8.85 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.265 -1.138 . . . . 0.0 110.795 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.98 -41.72 75.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.211 2.204 . . . . 0.0 112.521 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -73.8 -45.13 53.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.62 0.646 . . . . 0.0 109.915 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -53.83 -37.63 63.79 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 123.71 0.804 . . . . 0.0 109.666 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -63.05 -50.63 69.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.635 1.574 . . . . 0.0 111.811 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.77 -28.43 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.15 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 m -88.26 -22.34 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.699 1.136 . . . . 0.0 112.245 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -82.45 -37.74 24.99 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.121 -0.987 . . . . 0.0 109.848 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.64 -179.2 14.1 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.621 0.629 . . . . 0.0 112.381 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -62.65 103.27 0.32 Allowed 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 124.063 3.175 . . . . 0.0 109.492 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -148.55 150.92 34.2 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.338 1.055 . . . . 0.0 110.466 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 p -130.69 -168.59 2.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.148 1.779 . . . . 0.0 111.83 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 N-CA-C 108.731 -1.748 . . . . 0.0 108.731 179.612 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.54 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -153.78 150.01 28.03 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.725 2.01 . . . . 0.0 106.77 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -175.13 166.36 3.46 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.588 2.355 . . . . 0.0 108.001 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.05 -172.61 6.76 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.311 0.958 . . . . 0.0 113.82 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p 170.81 161.81 0.08 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.615 3.166 . . . . 0.0 107.041 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -162.03 165.85 26.73 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.564 1.945 . . . . 0.0 106.694 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.48 112.24 0.69 Allowed Glycine 0 CA--C 1.519 0.334 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -148.29 -166.29 2.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.609 2.364 . . . . 0.0 106.751 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.16 146.84 28.41 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -139.3 -30.39 0.73 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.946 1.298 . . . . 0.0 111.147 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.22 176.68 9.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.66 1.184 . . . . 0.0 109.905 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.95 71.53 0.83 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 124.594 1.093 . . . . 0.0 110.423 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -127.4 154.35 45.12 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 125.379 1.471 . . . . 0.0 107.745 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.48 65.08 0.76 Allowed 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.112 0.958 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.49 164.05 33.31 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.84 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -128.6 154.21 46.45 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.811 1.644 . . . . 0.0 109.098 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.53 121.44 15.85 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.41 -29.78 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.034 0.834 . . . . 0.0 112.071 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.16 -66.39 2.04 Favored Glycine 0 CA--C 1.522 0.491 0 O-C-N 121.675 -0.641 . . . . 0.0 112.3 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -78.41 -11.6 59.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.07 20.41 12.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.313 1.445 . . . . 0.0 111.912 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.17 153.54 25.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.472 1.509 . . . . 0.0 111.22 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.39 169.08 17.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.974 2.11 . . . . 0.0 111.783 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 156.97 45.35 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.334 1.854 . . . . 0.0 108.384 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 p -136.57 7.68 3.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.761 1.624 . . . . 0.0 110.801 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.6 -166.39 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 128.338 2.875 . . . . 0.0 109.953 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.24 168.99 22.89 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.926 2.418 . . . . 0.0 111.177 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -149.82 169.13 21.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.736 1.615 . . . . 0.0 107.912 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mtp -120.69 161.79 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.34 129.59 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.25 112.92 7.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.74 26.08 64.5 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 118.877 -0.957 . . . . 0.0 113.137 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 77.29 -0.62 2.86 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.457 1.903 . . . . 0.0 111.662 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.44 167.95 13.55 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.082 1.353 . . . . 0.0 110.908 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -120.67 133.2 55.38 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.445 1.098 . . . . 0.0 110.192 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.79 155.03 42.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.092 1.357 . . . . 0.0 108.775 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.08 148.72 60.97 Favored Pre-proline 0 C--O 1.24 0.577 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.64 -48.76 12.01 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.366 2.711 . . . . 0.0 112.799 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -62.77 6.71 0.09 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.237 1.415 . . . . 0.0 114.488 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.9 m -133.17 -8.91 2.99 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.613 1.565 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -78.75 89.33 4.61 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.27 163.84 31.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 22.2 t -69.4 124.22 23.3 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.1 tpp -46.69 -54.11 10.3 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.954 0.902 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.9 m -73.44 -13.35 61.05 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 117.511 2.411 . . . . 0.0 117.511 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.719 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -130.82 -8.95 3.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 122.155 2.252 . . . . 0.0 115.54 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 58.4 5.39 0.43 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.719 HG12 ' SG ' ' A' ' 47' ' ' CYS . 10.3 p -68.92 139.71 20.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 120.772 1.624 . . . . 0.0 108.996 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.7 mm -77.98 120.67 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mt -84.76 164.46 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -131.93 167.31 19.84 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -80.81 63.97 5.41 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.59 23.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 C-N-CA 126.689 2.09 . . . . 0.0 110.819 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -147.65 133.01 18.53 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 121.47 12.46 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 126.478 1.911 . . . . 0.0 113.001 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -117.93 172.84 7.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.842 1.257 . . . . 0.0 108.214 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.2 112.24 7.26 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.67 149.59 31.2 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.32 156.85 21.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.05 176.93 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 110.21 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 m170 57.11 19.15 4.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.1 0.96 . . . . 0.0 111.62 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.53 27.3 13.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.307 2.243 . . . . 0.0 112.018 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -84.6 156.82 21.41 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 tp -150.39 141.41 22.98 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.045 -1.659 . . . . 0.0 109.147 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -134.71 165.88 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.555 0.693 . . . . 0.0 109.523 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.5 161.74 14.5 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -47.91 41.46 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 118.854 0.752 . . . . 0.0 113.172 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -61.94 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.534 1.167 . . . . 0.0 111.815 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.0 -44.8 71.18 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.955 1.702 . . . . 0.0 112.123 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -64.61 -46.27 83.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 119.194 0.906 . . . . 0.0 109.587 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -60.58 -21.91 63.14 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.628 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.17 -58.22 3.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.344 1.058 . . . . 0.0 109.553 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.4 -40.16 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.605 0.639 . . . . 0.0 112.558 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 m -72.73 -12.53 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.625 1.102 . . . . 0.0 113.116 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -60.68 171.99 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.479 1.112 . . . . 0.0 110.75 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.35 113.95 1.98 Allowed Glycine 0 CA--C 1.537 1.422 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -57.49 -20.8 42.66 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.424 2.749 . . . . 0.0 115.29 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.68 11.23 1.65 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.715 1.606 . . . . 0.0 112.167 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.9 64.13 4.65 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.134 1.774 . . . . 0.0 109.222 178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 N-CA-C 106.482 -2.647 . . . . 0.0 106.482 -179.189 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.524 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -144.49 174.96 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.028 1.331 . . . . 0.0 108.886 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -143.36 173.0 11.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.145 0.978 . . . . 0.0 108.574 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.84 -174.62 41.66 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 127.358 2.409 . . . . 0.0 107.737 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p 174.64 157.29 0.16 Allowed 'General case' 0 C--O 1.237 0.438 0 C-N-CA 127.374 2.27 . . . . 0.0 108.128 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -98.24 97.03 8.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.53 178.1 52.19 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -129.42 -4.93 4.8 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.016 1.726 . . . . 0.0 111.652 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -141.41 169.91 16.71 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.919 2.087 . . . . 0.0 107.133 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -156.74 -177.67 6.78 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 108.704 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -137.03 110.76 8.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.138 1.375 . . . . 0.0 108.195 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.12 157.99 43.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.167 -1.573 . . . . 0.0 109.167 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -142.91 176.12 9.32 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.554 1.141 . . . . 0.0 108.497 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -70.15 -4.94 23.79 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.246 . . . . 0.0 112.986 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.82 -178.29 47.79 Favored Glycine 0 C--N 1.338 0.683 0 CA-C-O 122.528 1.071 . . . . 0.0 112.841 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -107.4 150.5 26.67 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.528 1.531 . . . . 0.0 109.489 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -129.1 160.07 33.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.609 1.563 . . . . 0.0 109.178 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 29.8 t -74.02 100.79 3.67 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -49.69 -35.18 20.84 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.763 1.225 . . . . 0.0 112.229 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.19 -51.81 54.11 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.778 -1.012 . . . . 0.0 112.159 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.3 -11.27 21.4 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m 63.51 60.28 1.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.012 0.823 . . . . 0.0 109.715 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -147.69 143.07 27.36 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.505 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.1 tp -73.89 169.82 16.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.538 1.935 . . . . 0.0 111.69 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.06 162.85 30.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.294 1.838 . . . . 0.0 107.165 176.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -131.85 13.69 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 111.803 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.21 -155.8 6.65 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.193 1.378 . . . . 0.0 110.613 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.24 167.15 17.08 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 122.694 2.263 . . . . 0.0 111.324 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -145.5 167.92 21.83 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.72 1.208 . . . . 0.0 109.804 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 tpt -108.92 126.94 53.61 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 t -109.57 129.14 64.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.73 142.84 18.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.453 0.701 . . . . 0.0 109.393 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.64 10.68 19.17 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.284 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 88.54 2.92 0.28 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.432 3.493 . . . . 0.0 110.667 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.24 172.38 6.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.172 1.789 . . . . 0.0 109.032 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -130.83 141.36 50.33 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.737 -0.602 . . . . 0.0 112.023 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -144.92 161.11 40.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.692 0.797 . . . . 0.0 113.08 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 23.4 m170 -71.54 146.11 90.99 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.124 -1.417 . . . . 0.0 107.495 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -44.33 30.26 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.295 2.664 . . . . 0.0 110.611 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.35 -3.57 6.24 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.406 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.3 9.86 5.69 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.993 1.317 . . . . 0.0 111.317 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -88.18 89.53 8.03 Favored 'General case' 0 N--CA 1.45 -0.47 1 N-CA-C 98.675 -4.565 . . . . 0.0 98.675 176.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.53 158.02 45.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.7 t -66.07 124.87 23.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -61.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 119.487 1.04 . . . . 0.0 113.317 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -57.96 -28.52 64.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.54 ' SG ' HG12 ' A' ' 49' ' ' VAL . 7.3 p -120.46 -10.68 9.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 67.06 1.47 2.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.753 2.021 . . . . 0.0 114.703 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' SG ' ' A' ' 47' ' ' CYS . 6.3 p -66.02 134.98 29.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-N 120.493 1.497 . . . . 0.0 108.0 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.63 153.32 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.62 109.44 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.93 167.86 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -65.88 -0.37 2.24 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -9.98 37.79 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.746 1.641 . . . . 0.0 110.588 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -83.71 -165.15 1.04 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.26 1.424 . . . . 0.0 107.684 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.91 115.14 10.99 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -108.69 170.24 8.16 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.408 0.683 . . . . 0.0 110.334 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.86 11.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 151.56 43.56 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.49 157.68 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -49.42 -23.31 1.45 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.439 1.896 . . . . 0.0 113.699 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.85 -165.09 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.958 1.703 . . . . 0.0 109.375 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.19 47.93 0.9 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -137.78 139.2 39.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.474 1.11 . . . . 0.0 110.822 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.19 143.68 38.3 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.607 1.963 . . . . 0.0 109.548 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.71 168.9 17.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.494 1.14 . . . . 0.0 113.171 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.59 139.91 30.23 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.54 -35.46 56.81 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-N 119.512 1.051 . . . . 0.0 113.998 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -61.16 -54.84 39.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.288 1.544 . . . . 0.0 110.544 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.1 m -71.9 -34.45 69.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.282 1.033 . . . . 0.0 112.691 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -62.02 -36.34 81.25 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.821 1.191 . . . . 0.0 109.105 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.53 -11.66 26.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.214 0.606 . . . . 0.0 111.325 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.38 -24.52 14.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.691 1.596 . . . . 0.0 109.992 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -11.72 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 120.804 -1.185 . . . . 0.0 112.111 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.54 -16.27 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.926 0.89 . . . . 0.0 109.602 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -121.54 101.81 7.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.597 1.959 . . . . 0.0 107.281 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.02 177.92 46.15 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.62 1.105 . . . . 0.0 110.951 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.31 -51.83 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.474 2.782 . . . . 0.0 111.291 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t 41.69 36.38 0.59 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.33 1.852 . . . . 0.0 112.327 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -142.6 179.0 7.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.454 1.102 . . . . 0.0 111.696 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 -179.779 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -153.74 173.35 15.96 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 p -162.46 176.58 10.32 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.214 1.406 . . . . 0.0 108.442 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.26 161.46 35.02 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 107.671 -2.171 . . . . 0.0 107.671 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -170.12 173.27 5.97 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.065 1.346 . . . . 0.0 107.601 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -120.61 177.2 5.16 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 127.792 2.437 . . . . 0.0 105.937 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.27 162.99 30.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -133.6 174.23 10.65 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.842 1.657 . . . . 0.0 108.583 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.2 151.14 38.2 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.329 1.051 . . . . 0.0 110.682 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.88 -19.05 0.92 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.626 1.17 . . . . 0.0 113.609 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -77.24 68.63 3.39 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.382 1.073 . . . . 0.0 109.249 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.21 5.05 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 125.189 1.376 . . . . 0.0 111.369 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 18.6 ptpt -172.47 174.37 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.934 1.294 . . . . 0.0 108.882 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -71.7 8.18 1.24 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.197 0.999 . . . . 0.0 111.016 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -83.76 155.92 32.48 Favored Glycine 0 N--CA 1.444 -0.791 0 O-C-N 120.07 -1.644 . . . . 0.0 109.948 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.16 154.67 25.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.242 -0.979 . . . . 0.0 108.718 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -117.97 159.68 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.212 2.205 . . . . 0.0 107.702 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 43.2 t -74.34 107.54 6.57 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -46.36 -31.84 2.83 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.346 1.458 . . . . 0.0 113.606 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.53 -63.18 3.86 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 p -87.02 -11.79 49.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 41.16 11.61 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.608 1.963 . . . . 0.0 111.56 -177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.59 141.25 51.92 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.0 167.92 1.47 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.736 2.814 . . . . 0.0 113.897 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.05 157.48 45.59 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.026 1.73 . . . . 0.0 110.131 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -136.72 29.12 2.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.876 2.07 . . . . 0.0 110.111 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.66 -168.58 18.9 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.48 168.5 21.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.43 3.42 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -149.42 173.18 13.84 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.571 1.148 . . . . 0.0 110.345 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.8 tpp -105.56 141.03 37.74 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.25 128.31 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.7 142.05 2.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.69 1.596 . . . . 0.0 107.76 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.84 30.28 62.85 Favored Glycine 0 C--O 1.223 -0.565 0 CA-C-O 116.953 -2.026 . . . . 0.0 114.083 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.277 5.4 pt-20 53.97 10.18 0.26 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.084 2.554 . . . . 0.0 114.928 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -107.43 -176.51 3.09 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.457 2.303 . . . . 0.0 110.633 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -128.0 123.06 33.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.894 -1.129 . . . . 0.0 111.423 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -136.35 152.09 50.28 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.205 0.602 . . . . 0.0 110.862 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 31.4 m170 -69.17 150.93 97.27 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.3 -49.37 9.4 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 110.623 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.77 -6.11 3.38 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.87 0.868 . . . . 0.0 112.604 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -119.73 20.62 12.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.537 1.135 . . . . 0.0 111.74 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -116.84 85.59 2.35 Favored 'General case' 0 N--CA 1.449 -0.52 1 N-CA-C 99.424 -4.287 . . . . 0.0 99.424 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.44 159.73 41.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.949 0.9 . . . . 0.0 113.41 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 44.6 t -67.11 123.54 20.55 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -51.23 61.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.181 1.355 . . . . 0.0 113.355 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -60.28 -59.45 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.8 p -84.39 -12.75 53.89 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -176.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 67.85 2.44 3.08 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.697 1.999 . . . . 0.0 114.375 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.4 p -72.61 138.9 20.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 119.777 1.171 . . . . 0.0 108.907 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.11 149.42 11.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.7 mt -113.1 148.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -132.15 177.16 7.78 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.717 1.207 . . . . 0.0 108.42 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.01 20.47 0.1 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.579 1.552 . . . . 0.0 111.65 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.32 -11.48 7.37 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 126.456 1.979 . . . . 0.0 114.334 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -118.4 -165.27 1.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.329 2.065 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.43 140.95 48.8 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.702 1.201 . . . . 0.0 109.416 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -129.88 162.33 28.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.0 150.61 41.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 tp -123.66 114.17 19.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.84 120.29 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 48.35 24.9 0.77 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.829 2.052 . . . . 0.0 112.835 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m170 53.58 32.04 13.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.964 1.306 . . . . 0.0 109.774 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.07 -22.92 3.39 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.459 1.904 . . . . 0.0 113.341 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -140.39 146.33 38.23 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.237 0.926 . . . . 0.0 110.871 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -108.94 133.16 53.31 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.375 1.87 . . . . 0.0 110.91 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.24 166.17 25.23 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.907 0.883 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.81 161.78 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.65 -44.73 86.26 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 120.008 1.276 . . . . 0.0 113.162 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -59.32 -53.56 56.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.55 1.175 . . . . 0.0 109.726 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.11 -37.1 81.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.558 1.543 . . . . 0.0 111.551 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -73.78 -15.99 61.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.329 -0.857 . . . . 0.0 110.054 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -83.11 -13.15 56.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.016 -1.053 . . . . 0.0 111.566 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.91 -31.61 12.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.815 -1.178 . . . . 0.0 111.08 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -72.52 -35.82 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 118.738 0.699 . . . . 0.0 112.34 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.7 -17.28 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.621 0.768 . . . . 0.0 113.013 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 t -68.54 166.18 17.54 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.202 0.91 . . . . 0.0 109.468 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.62 110.75 1.76 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.076 1.798 . . . . 0.0 111.926 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -80.49 -176.3 3.12 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.773 2.316 . . . . 0.0 110.42 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 p -71.84 165.57 23.85 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -81.9 -8.34 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.171 -0.955 . . . . 0.0 111.847 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -179.271 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.554 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -142.67 153.17 43.16 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.079 0.952 . . . . 0.0 108.683 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -150.15 79.85 1.36 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.8 -39.88 54.0 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -112.04 175.58 5.37 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.43 1.892 . . . . 0.0 107.023 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -160.19 -40.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.301 1.441 . . . . 0.0 107.58 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.16 65.51 0.21 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 105.724 -2.95 . . . . 0.0 105.724 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.02 78.33 1.29 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.72 100.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.027 2.131 . . . . 0.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -162.36 153.53 17.79 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.07 1.748 . . . . 0.0 106.937 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -80.67 -25.27 38.36 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.58 -159.77 13.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -107.35 163.29 13.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.725 0.81 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -83.8 -10.26 58.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.362 0.665 . . . . 0.0 111.06 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.87 155.46 11.95 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -103.9 154.65 19.39 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.77 142.94 50.83 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 8.6 t -65.79 109.56 2.51 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -47.85 -41.96 25.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 124.04 0.837 . . . . 0.0 110.393 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -33.61 60.07 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-O 117.454 -1.748 . . . . 0.0 115.264 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -121.92 -7.65 8.94 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.416 1.608 . . . . 0.0 115.066 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.77 -0.05 1.39 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.629 1.572 . . . . 0.0 113.766 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 mt -79.38 163.95 24.42 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 120.4 -1.438 . . . . 0.0 110.928 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -81.54 151.89 27.52 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.174 2.189 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -135.49 155.98 49.64 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 p -134.36 -9.09 2.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.197 1.399 . . . . 0.0 110.456 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.81 -163.54 25.97 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 127.23 2.348 . . . . 0.0 111.7 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.95 167.56 25.64 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 109.965 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.16 174.34 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.496 1.519 . . . . 0.0 108.416 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.3 ttt -121.49 134.65 55.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.6 t -103.18 129.59 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.69 133.94 14.29 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.3 10.53 42.3 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.277 -0.735 . . . . 0.0 111.622 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 93.9 -20.88 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 1 C-N-CA 132.101 4.16 . . . . 0.0 110.371 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.86 161.39 31.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.221 2.208 . . . . 0.0 110.438 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -110.65 125.25 53.24 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.95 146.65 52.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.006 0.923 . . . . 0.0 108.673 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 14.5 m80 -70.12 151.37 96.01 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.97 -43.26 20.28 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.391 1.394 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 3.44 0.43 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.805 2.042 . . . . 0.0 114.29 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.31 -8.64 3.34 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.438 1.095 . . . . 0.0 111.37 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.0 83.32 8.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 100.456 -3.905 . . . . 0.0 100.456 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.17 153.48 51.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.123 1.369 . . . . 0.0 113.647 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 42.1 t -63.48 123.32 18.48 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.4 mmm -58.02 -49.55 76.46 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.497 1.044 . . . . 0.0 112.543 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -61.38 -58.39 8.42 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.2 p -78.82 -19.15 52.8 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 60.84 48.61 6.72 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 126.065 1.746 . . . . 0.0 111.823 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.7 p -121.92 139.04 50.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -62.26 148.61 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.99 1.431 . . . . 0.0 107.689 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -115.51 82.28 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -72.31 176.83 4.94 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.68 12.17 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.655 1.982 . . . . 0.0 115.71 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.72 -2.41 20.86 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.674 2.083 . . . . 0.0 113.057 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -127.59 136.09 51.18 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.77 110.81 22.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 124.221 1.008 . . . . 0.0 111.613 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -71.0 -179.74 2.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.342 1.457 . . . . 0.0 110.004 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.34 111.42 3.85 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.36 144.31 38.07 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.55 157.42 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.045 1.338 . . . . 0.0 107.925 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -52.59 -36.01 55.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.822 1.249 . . . . 0.0 112.025 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.74 143.99 26.86 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.28 69.37 0.09 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.597 1.559 . . . . 0.0 113.272 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -141.03 147.64 38.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.083 1.753 . . . . 0.0 106.356 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tp -108.73 141.7 40.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 120.848 -1.157 . . . . 0.0 109.737 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 162.36 35.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.823 1.249 . . . . 0.0 109.805 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 70' ' ' CYS . 0.5 OUTLIER -95.39 158.43 15.46 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 179.219 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.87 92.48 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 119.619 1.099 . . . . 0.0 112.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.2 -50.14 74.85 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.206 1.003 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 67' ' ' CYS 0.273 1.7 m -61.49 -43.31 99.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 110.332 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.76 -50.66 68.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.959 1.254 . . . . 0.0 109.254 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.54 -26.89 65.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.981 1.312 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -79.22 -53.75 6.65 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.633 1.173 . . . . 0.0 109.513 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.29 -38.85 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.58 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.15 -32.43 50.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.527 1.058 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.5 p -79.15 2.85 19.44 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.2 -169.23 12.38 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -65.57 152.21 82.48 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.031 1.821 . . . . 0.0 111.195 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.35 166.42 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.833 1.653 . . . . 0.0 107.8 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.7 p -162.43 163.51 27.63 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.515 1.126 . . . . 0.0 108.17 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 O-C-N 121.049 -1.032 . . . . 0.0 111.67 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -143.06 120.7 11.81 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.938 0.895 . . . . 0.0 108.945 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -130.98 164.09 26.12 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.793 1.637 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.1 138.97 25.27 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 124.743 1.163 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.75 154.59 47.46 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.775 1.23 . . . . 0.0 109.988 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m -101.54 165.96 10.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.211 1.404 . . . . 0.0 109.179 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 142.44 5.73 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 132.58 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.279 2.232 . . . . 0.0 105.551 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -158.11 170.99 21.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.66 1.984 . . . . 0.0 108.474 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -163.66 136.85 5.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -78.96 153.22 30.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 122.92 0.488 . . . . 0.0 111.98 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.71 154.36 5.68 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.883 1.23 . . . . 0.0 110.119 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.0 168.8 25.21 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.691 0.796 . . . . 0.0 110.204 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -80.64 -55.47 4.82 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.847 1.259 . . . . 0.0 109.674 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.26 -166.43 16.1 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 126.806 2.146 . . . . 0.0 109.509 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.71 149.37 32.77 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.35 160.36 26.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.964 2.105 . . . . 0.0 108.683 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.0 t -84.85 107.27 16.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 115.519 -2.182 . . . . 0.0 105.963 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -52.68 -38.82 61.21 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 121.236 1.835 . . . . 0.0 109.378 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.12 -49.15 9.94 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 124.506 1.05 . . . . 0.0 110.674 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -109.33 -5.44 15.85 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m 57.6 47.7 15.5 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.548 1.539 . . . . 0.0 110.95 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -141.2 154.57 45.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.094 1.758 . . . . 0.0 108.292 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.08 161.56 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.801 1.641 . . . . 0.0 110.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.0 ptp -118.73 -37.33 3.28 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p 55.72 -65.54 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.644 2.377 . . . . 0.0 113.849 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.7 -161.88 2.4 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.776 2.131 . . . . 0.0 112.814 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.43 167.94 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.702 2.268 . . . . 0.0 112.415 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 33.3 p90 -138.07 159.91 40.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.739 1.615 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 tpp -107.29 141.84 38.0 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.75 129.64 59.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.05 112.69 8.88 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.12 14.71 40.67 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 116.89 -2.061 . . . . 0.0 115.848 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 105.44 -15.92 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 1 C-N-CA 132.155 4.182 . . . . 0.0 110.039 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -76.34 161.95 28.3 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.577 1.151 . . . . 0.0 108.955 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 40.4 ttmt -126.21 123.66 38.69 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.328 1.051 . . . . 0.0 110.237 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -135.01 161.2 35.97 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.059 0.943 . . . . 0.0 111.924 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -72.48 140.83 82.28 Favored Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 116.815 -1.954 . . . . 0.0 107.23 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.45 -43.82 31.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.286 2.657 . . . . 0.0 110.014 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.58 0.36 0.5 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.589 1.956 . . . . 0.0 113.641 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -132.42 -3.63 3.4 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.57 1.548 . . . . 0.0 111.398 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.38 91.08 6.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 102.437 -3.171 . . . . 0.0 102.437 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.58 155.14 49.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.567 0.747 . . . . 0.0 112.414 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 t -61.2 129.22 40.23 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.7 ttm -55.64 -47.52 76.49 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -69.89 -42.81 72.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -7.66 17.43 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 117.5 2.407 . . . . 0.0 117.5 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 62.18 5.77 1.61 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 p -65.44 138.64 22.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 120.415 1.462 . . . . 0.0 109.614 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.63 128.39 37.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -87.84 136.36 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -111.82 168.5 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.851 1.26 . . . . 0.0 108.902 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.09 -20.62 64.22 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.69 57.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 126.504 2.002 . . . . 0.0 112.823 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -87.42 -162.2 0.78 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.43 135.11 14.46 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -120.2 -178.58 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.829 1.252 . . . . 0.0 111.733 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.35 132.01 22.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.004 1.722 . . . . 0.0 106.787 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.95 117.43 32.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.097 1.359 . . . . 0.0 109.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.03 158.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -47.39 -56.59 6.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.25 1.42 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -77.68 147.22 35.59 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.43 95.15 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.07 2.148 . . . . 0.0 111.379 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -164.01 162.82 23.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.616 2.766 . . . . 0.0 106.284 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.82 128.82 23.56 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.821 1.248 . . . . 0.0 109.201 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -131.92 165.71 23.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.665 1.221 . . . . 0.0 110.495 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.85 145.3 24.49 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.76 -38.8 85.1 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -54.99 40.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.016 1.408 . . . . 0.0 111.567 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 90.4 m -74.93 -28.44 60.6 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.281 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -68.19 -27.86 66.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.187 1.358 . . . . 0.0 109.085 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.02 -33.87 58.39 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.812 0.845 . . . . 0.0 110.813 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.15 -36.03 82.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.572 1.149 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.1 t -69.56 -31.75 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.427 1.491 . . . . 0.0 110.307 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 m -93.25 -20.97 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.111 0.869 . . . . 0.0 110.917 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 m -58.81 150.82 22.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.595 0.758 . . . . 0.0 109.59 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.84 -126.28 7.03 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.44 81.62 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 122.613 2.209 . . . . 0.0 111.159 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 t -78.0 155.74 30.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.8 m -78.23 67.24 4.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.431 -0.793 . . . . 0.0 110.617 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 -179.584 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.906 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -147.22 145.76 29.57 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.809 -0.818 . . . . 0.0 109.93 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 p -172.25 164.15 5.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 126.373 1.869 . . . . 0.0 108.089 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 150.31 7.47 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -151.96 -176.2 5.55 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.826 0.85 . . . . 0.0 109.676 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -140.38 -97.21 0.15 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.38 151.94 12.72 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 124.255 0.931 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -167.3 169.82 12.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.376 2.27 . . . . 0.0 106.609 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 47.12 46.26 16.22 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.915 1.686 . . . . 0.0 111.52 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -76.1 -38.51 56.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.444 1.498 . . . . 0.0 111.367 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -67.65 169.18 9.86 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 119.245 0.93 . . . . 0.0 111.273 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.9 176.27 47.87 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 122.606 1.114 . . . . 0.0 113.521 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -98.55 -176.45 3.38 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.039 1.735 . . . . 0.0 106.383 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -87.35 54.97 3.33 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.2 -169.7 43.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 125.638 1.59 . . . . 0.0 111.753 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.75 138.27 54.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -129.19 153.89 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.845 -0.534 . . . . 0.0 110.9 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.24 110.38 9.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 102.995 -2.965 . . . . 0.0 102.995 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -47.97 -42.47 27.81 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 124.528 1.142 . . . . 0.0 109.212 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -54.95 2.31 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.488 1.994 . . . . 0.0 112.17 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.372 0.7 OUTLIER -116.97 0.74 12.5 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.753 1.276 . . . . 0.0 114.207 178.44 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.28 -2.58 2.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.655 1.982 . . . . 0.0 114.035 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -89.97 151.09 21.86 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.426 -0.796 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.99 169.1 5.62 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 129.664 3.186 . . . . 0.0 110.455 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.93 154.65 49.04 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.398 1.479 . . . . 0.0 110.501 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -129.89 -8.59 4.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.387 1.075 . . . . 0.0 110.04 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.54 -163.01 18.62 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.832 2.158 . . . . 0.0 112.981 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -73.62 169.51 22.18 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 124.162 3.242 . . . . 0.0 111.268 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -143.51 173.7 11.41 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.209 1.003 . . . . 0.0 111.647 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.7 mtp -136.26 163.97 29.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.156 1.782 . . . . 0.0 107.054 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.23 129.48 67.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.387 0.675 . . . . 0.0 110.341 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.36 147.53 27.02 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.243 1.417 . . . . 0.0 108.764 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.46 54.52 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.249 -1.306 . . . . 0.0 112.64 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.32 11.0 pt-20 57.84 21.46 7.57 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.892 1.677 . . . . 0.0 112.275 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -111.18 -178.3 3.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.762 2.025 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 124.66 41.88 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.844 1.657 . . . . 0.0 107.748 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -138.8 169.97 16.83 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.072 0.949 . . . . 0.0 112.509 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -91.01 150.57 42.04 Favored Pre-proline 0 N--CA 1.47 0.542 0 CA-C-O 117.856 -1.069 . . . . 0.0 108.717 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.69 -38.63 48.63 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.573 2.182 . . . . 0.0 109.426 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -72.08 9.32 0.99 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.894 1.677 . . . . 0.0 112.36 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.07 15.54 2.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.606 1.162 . . . . 0.0 113.659 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -111.62 85.11 2.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.18 13.04 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.121 -0.987 . . . . 0.0 111.758 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.0 t -85.46 124.37 31.97 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 116.702 -1.618 . . . . 0.0 106.952 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.3 tpp -57.92 -54.23 49.22 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.146 1.794 . . . . 0.0 109.206 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.65 -16.51 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 130.113 3.365 . . . . 0.0 115.896 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -140.44 -11.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 113.604 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 65.59 1.94 1.89 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.82 2.848 . . . . 0.0 114.75 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.1 p -66.37 144.21 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 110.226 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -78.89 133.51 29.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.88 156.86 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -113.2 166.48 11.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.362 1.065 . . . . 0.0 109.377 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -67.26 -12.15 59.35 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.1 12.59 19.72 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.169 1.366 . . . . 0.0 111.257 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.65 165.1 11.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.315 1.058 . . . . 0.0 110.673 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.93 122.59 26.32 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 125.184 1.394 . . . . 0.0 112.21 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -142.87 166.49 24.5 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.501 1.121 . . . . 0.0 110.587 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.41 116.41 6.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.4 142.71 27.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.72 160.14 41.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 127.339 2.256 . . . . 0.0 107.455 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -51.85 171.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.031 0.933 . . . . 0.0 110.282 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 56.15 29.39 14.6 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.199 -0.938 . . . . 0.0 108.483 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 46.64 19.07 0.07 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.581 3.152 . . . . 0.0 114.226 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 125.1 25.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 tp -108.68 125.84 52.33 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.281 1.833 . . . . 0.0 110.353 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -122.92 166.82 14.42 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.462 1.105 . . . . 0.0 109.689 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.38 148.72 22.11 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.28 -41.97 24.48 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 118.698 0.681 . . . . 0.0 113.693 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.02 -59.78 2.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 122.908 1.337 . . . . 0.0 112.444 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.306 63.8 m -65.02 -13.52 58.1 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 126.548 1.939 . . . . 0.0 111.735 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -87.48 -49.81 6.96 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -52.3 -36.84 54.11 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.658 1.183 . . . . 0.0 111.263 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -55.96 -33.49 64.83 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.469 1.908 . . . . 0.0 111.826 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.3 t -77.39 -64.99 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.85 1.26 . . . . 0.0 108.625 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.65 -37.76 20.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.048 0.939 . . . . 0.0 113.057 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -79.77 55.29 2.01 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.294 0.569 . . . . 0.0 112.22 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.75 -172.26 27.81 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 127.15 2.31 . . . . 0.0 109.25 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.44 113.99 3.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.073 2.515 . . . . 0.0 108.658 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.9 p -43.59 152.22 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.469 1.508 . . . . 0.0 114.24 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 m -121.94 166.83 13.85 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.345 1.058 . . . . 0.0 111.593 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 C-N-CA 124.594 1.092 . . . . 0.0 110.963 179.331 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.524 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -153.06 154.09 34.18 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 108.685 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -165.07 109.11 0.88 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.733 -0.605 . . . . 0.0 109.878 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.04 146.29 33.34 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -157.77 100.06 1.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 118.26 1.03 . . . . 0.0 109.072 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -110.82 -21.26 12.15 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.727 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.57 101.8 0.08 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 137.45 11.23 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -157.86 147.76 20.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.788 1.635 . . . . 0.0 107.378 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -154.06 161.3 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.863 1.265 . . . . 0.0 108.356 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -91.87 -1.92 57.09 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.109 2.164 . . . . 0.0 114.661 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.11 75.46 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 126.275 1.893 . . . . 0.0 117.005 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -85.03 -44.12 13.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.784 1.292 . . . . 0.0 111.249 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -66.36 -56.08 12.81 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.28 -172.54 14.43 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.704 1.621 . . . . 0.0 114.315 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -121.25 138.5 54.2 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.941 1.696 . . . . 0.0 110.239 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.18 148.89 25.22 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.21 -0.931 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 4.5 t -70.82 110.29 5.5 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -51.52 -35.14 39.23 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.499 1.5 . . . . 0.0 110.922 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.66 -33.24 48.18 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.291 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -131.4 -5.02 3.78 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 m 62.57 25.78 15.33 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.171 1.351 . . . . 0.0 112.991 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 mt -111.81 146.74 37.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.899 1.28 . . . . 0.0 108.25 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.7 159.99 32.48 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.136 1.374 . . . . 0.0 112.036 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -123.32 146.52 47.85 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.611 1.164 . . . . 0.0 110.982 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.26 62.28 1.66 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 127.335 2.254 . . . . 0.0 106.029 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.7 170.21 26.09 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.359 0.98 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.27 169.46 15.31 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 124.722 3.615 . . . . 0.0 113.125 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.98 173.05 12.22 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.944 1.698 . . . . 0.0 110.111 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -94.56 142.32 27.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.877 1.671 . . . . 0.0 107.419 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.5 t -103.77 126.93 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 120.477 1.49 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.17 170.13 5.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.203 1.401 . . . . 0.0 110.523 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.44 32.57 30.83 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.041 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 53.54 12.6 0.39 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.586 2.355 . . . . 0.0 115.563 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.87 -148.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.801 1.182 . . . . 0.0 110.29 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -143.31 132.04 22.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.025 1.73 . . . . 0.0 106.967 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -132.16 150.24 52.2 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 123.966 0.906 . . . . 0.0 109.477 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 26.4 m170 -66.71 150.52 97.49 Favored Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 116.705 -1.998 . . . . 0.0 109.597 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.23 -40.27 83.85 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.907 3.071 . . . . 0.0 112.326 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.24 -4.19 46.54 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.031 -1.043 . . . . 0.0 113.454 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.11 11.15 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.722 1.209 . . . . 0.0 112.96 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -105.81 87.33 2.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.85 168.09 24.72 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.7 t -66.73 123.77 21.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -35.65 63.98 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -11.42 55.36 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.596 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -136.05 -10.0 2.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.886 1.675 . . . . 0.0 114.792 -178.667 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.266 0.5 OUTLIER 62.88 3.48 1.22 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.796 2.038 . . . . 0.0 115.287 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.3 p -66.64 134.31 30.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.25 142.92 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -103.55 106.86 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.98 159.46 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.02 0.528 . . . . 0.0 111.194 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.59 70.54 4.96 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.502 1.144 . . . . 0.0 107.948 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 -31.62 0.07 OUTLIER Glycine 0 CA--C 1.527 0.827 0 C-N-CA 128.136 2.779 . . . . 0.0 109.996 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.56 137.76 41.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.088 0.944 . . . . 0.0 108.87 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.46 139.63 53.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.794 1.637 . . . . 0.0 111.201 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.99 -177.31 4.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.884 1.673 . . . . 0.0 109.521 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.43 146.4 29.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 127.708 2.403 . . . . 0.0 105.954 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.59 121.39 42.45 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.95 158.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.568 1.147 . . . . 0.0 108.002 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -50.16 -35.1 24.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.931 1.292 . . . . 0.0 113.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.77 150.74 20.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.719 0.808 . . . . 0.0 109.713 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.1 68.53 0.12 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.862 1.665 . . . . 0.0 113.824 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -153.14 141.02 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.65 146.59 33.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.04 0.936 . . . . 0.0 111.314 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -130.6 162.91 28.29 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.097 1.359 . . . . 0.0 108.392 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -93.07 154.27 18.21 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 178.433 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.5 -47.27 44.96 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.65 0.659 . . . . 0.0 112.983 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.23 -52.93 60.2 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.96 1.38 . . . . 0.0 110.34 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.52 -33.89 73.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.631 1.173 . . . . 0.0 112.44 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -68.89 -18.17 64.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.398 1.454 . . . . 0.0 110.434 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -89.13 -30.47 18.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.79 -26.86 66.31 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.914 -1.116 . . . . 0.0 111.245 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.91 -10.84 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 O-C-N 121.151 -0.968 . . . . 0.0 112.011 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -51.89 7.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.502 1.046 . . . . 0.0 108.591 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.1 m -49.81 113.6 0.88 Allowed 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.262 1.425 . . . . 0.0 112.744 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.13 -94.13 0.1 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.045 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.75 164.18 36.41 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.451 2.767 . . . . 0.0 111.775 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.8 t -77.22 154.36 33.13 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -144.86 33.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.369 1.468 . . . . 0.0 108.249 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 N-CA-C 105.196 -3.162 . . . . 0.0 105.196 -178.528 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 109.167 -1.573 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.47 139.31 54.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.527 1.156 . . . . 0.0 108.5 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.13 144.07 51.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.825 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 8.6 t -65.17 121.08 13.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -45.51 -47.21 14.21 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.023 0.829 . . . . 0.0 110.776 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -30.84 76.97 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 117.942 -1.477 . . . . 0.0 116.024 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 16.4 p -118.54 -9.59 10.26 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.863 2.332 . . . . 0.0 115.228 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 63.94 2.76 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.624 1.97 . . . . 0.0 111.586 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.69 142.12 31.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 120.452 1.478 . . . . 0.0 108.013 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.97 140.27 58.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.393 2.277 . . . . 0.0 109.249 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -115.72 168.11 10.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.862 0.865 . . . . 0.0 109.01 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -143.87 -37.36 0.33 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.87 -153.22 12.68 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.138 1.828 . . . . 0.0 111.425 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.21 159.63 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.035 1.824 . . . . 0.0 109.936 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -149.78 172.94 14.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.379 1.472 . . . . 0.0 108.687 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.3 mtp -122.53 146.52 47.33 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.54 128.68 66.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.95 157.91 10.19 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.574 2.349 . . . . 0.0 107.923 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.31 31.94 35.94 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 117.764 -1.575 . . . . 0.0 113.506 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.316 13.5 pt-20 55.31 22.49 4.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.63 1.972 . . . . 0.0 114.579 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 -173.88 2.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.24 1.416 . . . . 0.0 108.037 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -140.83 139.85 34.57 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.204 1.401 . . . . 0.0 107.426 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -146.23 155.55 42.76 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -65.45 154.82 87.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -66.03 -5.3 11.9 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.933 3.088 . . . . 0.0 113.365 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.293 73.8 mt-10 -108.73 -2.3 18.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.735 2.814 . . . . 0.0 113.159 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.272 58.6 m -123.08 15.76 9.92 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -103.73 92.87 4.62 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 100.576 -3.861 . . . . 0.0 100.576 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.67 161.7 35.78 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.1 t -63.79 124.34 21.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.3 -59.76 3.41 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.747 0.654 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -50.02 72.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -93.89 -13.44 27.18 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 -176.346 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 69.48 8.24 6.66 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG12 ' SG ' ' A' ' 47' ' ' CYS . 12.3 p -64.89 136.74 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -79.87 131.67 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.32 140.52 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -111.96 169.62 8.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.664 1.585 . . . . 0.0 108.848 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.27 77.26 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.203 1.801 . . . . 0.0 112.68 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.66 -27.8 1.32 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 118.544 -1.142 . . . . 0.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.09 130.7 42.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.502 1.651 . . . . 0.0 109.388 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 103.42 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.639 2.376 . . . . 0.0 115.153 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -94.43 169.97 9.82 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.55 30.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.3 mt -114.72 156.12 25.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.809 1.244 . . . . 0.0 110.757 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.31 158.53 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.85 1.66 . . . . 0.0 108.56 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -63.28 -14.33 48.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.513 1.525 . . . . 0.0 111.192 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -116.16 174.3 6.12 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.317 2.247 . . . . 0.0 107.432 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.2 84.43 0.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.878 0.871 . . . . 0.0 109.104 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 154.35 27.69 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.344 -1.473 . . . . 0.0 107.525 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 tp -141.73 135.22 29.57 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.183 0.993 . . . . 0.0 108.338 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -131.47 173.93 10.59 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.128 0.971 . . . . 0.0 109.729 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.54 150.58 20.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.15 -38.15 88.72 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.505 1.502 . . . . 0.0 112.756 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -61.25 -42.46 98.67 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.241 -1.152 . . . . 0.0 113.271 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.53 -30.02 15.22 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.266 1.826 . . . . 0.0 114.967 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -64.45 -14.11 55.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.651 1.569 . . . . 0.0 108.932 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -50.34 -34.43 23.83 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 129.141 2.977 . . . . 0.0 109.59 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.44 -32.7 64.52 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.762 0.825 . . . . 0.0 112.392 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--O 1.233 0.195 0 C-N-CA 125.226 1.411 . . . . 0.0 110.969 -178.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -85.9 140.95 29.93 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.506 1.522 . . . . 0.0 109.47 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -129.1 155.8 44.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 112.157 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.556 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 14.4 t -76.33 102.91 6.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -49.19 -41.45 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.941 1.246 . . . . 0.0 109.942 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.05 -31.65 40.81 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 118.305 -1.275 . . . . 0.0 113.983 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 p -122.81 -9.33 8.35 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.428 1.614 . . . . 0.0 114.119 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 67.14 32.69 6.0 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.163 0.985 . . . . 0.0 111.37 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -127.03 143.65 51.23 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.552 -1.342 . . . . 0.0 110.703 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 tp -66.81 139.09 57.76 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 129.37 3.068 . . . . 0.0 110.754 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.19 13.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.976 0.807 . . . . 0.0 108.999 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -134.91 8.93 3.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.841 1.656 . . . . 0.0 110.252 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.65 -168.65 11.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.757 2.598 . . . . 0.0 108.642 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.69 163.19 31.3 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.949 1.766 . . . . 0.0 111.433 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -132.76 173.85 10.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.88 2.072 . . . . 0.0 109.241 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.52 134.57 54.69 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -111.96 128.94 68.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.79 135.17 15.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 123.567 0.747 . . . . 0.0 109.006 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.12 24.18 34.92 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.269 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 82.21 -0.96 1.44 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.601 3.16 . . . . 0.0 112.14 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.79 173.7 7.86 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.329 1.452 . . . . 0.0 109.733 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -133.78 122.9 23.96 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.549 0.739 . . . . 0.0 110.031 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -140.8 149.95 42.7 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.221 0.609 . . . . 0.0 111.534 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 28.3 m170 -70.65 147.85 94.76 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.25 -36.08 92.63 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 CA-C-N 121.658 1.628 . . . . 0.0 112.447 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.19 -13.03 45.97 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.452 -1.405 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.39 -8.38 21.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 112.172 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -96.77 86.6 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.49 160.16 39.91 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.15 0.98 . . . . 0.0 111.348 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 45.1 t -68.12 123.57 21.04 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 104.033 -2.581 . . . . 0.0 104.033 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 35.7 ttp -54.46 -31.08 54.89 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.02 1.282 . . . . 0.0 113.835 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -86.26 -59.31 2.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 122.521 0.329 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.582 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.1 p -81.63 -10.86 59.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 116.787 2.143 . . . . 0.0 116.787 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.38 -1.62 1.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.038 2.135 . . . . 0.0 115.008 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.1 p -64.52 139.62 21.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.25 141.49 16.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mm -95.76 163.67 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' ' HB3' ' A' ' 55' ' ' ASP . 12.9 mt-10 -132.63 165.66 23.94 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.746 1.218 . . . . 0.0 109.845 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.63 -13.35 62.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -114.98 17.26 17.59 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.255 2.36 . . . . 0.0 111.112 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 19.2 t0 -113.87 157.16 22.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.569 1.685 . . . . 0.0 109.408 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 127.39 33.44 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.642 0.777 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -137.41 156.96 47.57 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.461 1.104 . . . . 0.0 108.563 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.12 128.37 20.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.72 156.41 17.06 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.18 157.99 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -55.98 -34.19 65.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.528 1.131 . . . . 0.0 109.962 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -88.57 178.86 6.4 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.425 1.49 . . . . 0.0 109.725 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 81.44 2.06 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.7 m -158.49 141.01 14.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.155 1.382 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.11 119.06 23.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.912 2.085 . . . . 0.0 105.899 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -112.24 167.71 10.2 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.002 1.321 . . . . 0.0 108.848 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.38 155.13 17.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.92 -42.71 96.89 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 119.406 1.003 . . . . 0.0 110.668 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.49 -23.44 64.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.721 0.808 . . . . 0.0 111.688 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.15 -49.7 5.86 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 126.571 1.949 . . . . 0.0 111.352 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -58.76 -22.1 57.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.158 1.345 . . . . 0.0 110.123 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.26 -18.6 61.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.782 2.033 . . . . 0.0 110.667 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.9 -15.69 31.57 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.302 2.241 . . . . 0.0 111.681 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.467 0.38 0 O-C-N 121.019 -1.051 . . . . 0.0 110.914 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -83.41 160.91 21.49 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 122.773 1.273 . . . . 0.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -128.44 138.64 52.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.614 1.566 . . . . 0.0 109.777 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t -76.82 106.33 8.42 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -55.42 -45.83 76.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.78 -65.59 1.34 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.482 1.515 . . . . 0.0 110.779 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 31.5 p -82.44 -13.04 57.43 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 t 69.36 39.17 1.69 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.307 1.443 . . . . 0.0 109.03 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 mt -138.25 146.16 42.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.87 1.268 . . . . 0.0 110.592 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.32 135.12 57.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.462 3.105 . . . . 0.0 112.827 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptp -91.6 155.75 18.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.157 0.889 . . . . 0.0 108.704 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.53 -56.54 1.01 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.781 0.832 . . . . 0.0 111.487 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.78 -153.78 8.56 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.803 1.192 . . . . 0.0 110.85 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -68.09 169.48 16.5 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.206 1.938 . . . . 0.0 110.17 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 43.4 p90 -140.71 173.73 11.21 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 126.709 2.004 . . . . 0.0 109.104 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.94 155.91 43.49 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -130.36 130.89 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 125.54 1.536 . . . . 0.0 111.622 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.36 143.92 22.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 128.45 2.7 . . . . 0.0 105.49 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.0 13.04 6.07 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 117.667 -1.63 . . . . 0.0 115.299 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 84.04 6.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.751 2.82 . . . . 0.0 113.272 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.59 -175.72 4.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.05 1.34 . . . . 0.0 110.552 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -137.56 134.61 35.83 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 125.844 1.658 . . . . 0.0 106.733 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -148.55 158.15 43.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.619 1.1 . . . . 0.0 110.85 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -67.89 150.69 97.68 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 115.874 -2.33 . . . . 0.0 106.281 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 44.3 Cg_endo -65.77 -40.22 17.86 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.863 2.375 . . . . 0.0 113.493 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -3.44 9.21 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.534 1.061 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.03 -2.63 27.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.906 0.882 . . . . 0.0 112.249 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.3 87.35 7.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 101.639 -3.467 . . . . 0.0 101.639 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.2 158.81 44.29 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.468 1.107 . . . . 0.0 111.786 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.6 t -74.15 123.7 24.95 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -60.69 -40.24 91.47 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.2 2.273 . . . . 0.0 112.893 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.18 89.61 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 126.794 2.038 . . . . 0.0 115.779 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.4 p -112.25 -9.62 13.89 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 63.24 1.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 128.452 2.701 . . . . 0.0 116.001 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.3 p -69.5 140.3 18.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 119.841 1.2 . . . . 0.0 109.483 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.16 144.93 12.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 105.296 -2.112 . . . . 0.0 105.296 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -106.35 139.48 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.66 169.43 8.64 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.18 -24.49 54.8 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.367 1.467 . . . . 0.0 113.022 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.31 -14.37 38.85 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.251 1.882 . . . . 0.0 114.95 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.86 168.18 15.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.92 2.36 . . . . 0.0 112.516 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.68 99.0 11.75 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.403 1.481 . . . . 0.0 113.549 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -87.91 174.15 8.5 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.524 0.73 . . . . 0.0 109.23 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.51 124.69 6.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -110.09 156.6 20.34 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.989 1.316 . . . . 0.0 107.547 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.71 159.74 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 107.086 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -45.03 -48.33 11.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.077 1.751 . . . . 0.0 110.646 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -79.85 158.94 26.63 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.192 1.397 . . . . 0.0 109.101 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.66 76.1 0.19 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.608 1.163 . . . . 0.0 112.17 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -149.86 142.64 24.68 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.793 -1.192 . . . . 0.0 108.067 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.89 139.1 54.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.912 1.285 . . . . 0.0 111.592 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -137.0 171.37 14.61 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.119 1.768 . . . . 0.0 111.462 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -94.56 158.05 15.71 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.3 -44.09 93.51 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.317 0.962 . . . . 0.0 112.847 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -61.01 -40.14 92.43 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.96 1.38 . . . . 0.0 112.073 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.42 -46.06 70.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 109.545 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -60.29 -37.87 81.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.823 0.738 . . . . 0.0 110.807 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -57.77 -24.04 55.22 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.231 1.412 . . . . 0.0 112.105 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -100.11 -25.11 14.4 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.703 0.801 . . . . 0.0 110.972 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.464 0.257 0 O-C-N 121.218 -0.927 . . . . 0.0 110.323 179.521 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.09 0 CA-C-O 122.027 0.793 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -85.15 137.36 33.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.746 1.618 . . . . 0.0 111.548 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.68 154.98 45.75 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.209 2.204 . . . . 0.0 107.069 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.0 t -65.6 113.36 4.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.5 21.95 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.85 2.46 . . . . 0.0 114.806 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.93 -47.51 0.18 Allowed Glycine 0 CA--C 1.526 0.726 0 C-N-CA 127.331 2.396 . . . . 0.0 108.08 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.8 p -104.7 -6.32 20.5 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m 62.54 30.98 17.15 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.033 1.288 . . . . 0.0 112.843 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -121.89 144.79 48.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.031 1.333 . . . . 0.0 107.539 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 tp -54.53 157.99 2.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.498 2.719 . . . . 0.0 112.539 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 ptp -112.55 151.4 30.06 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 126.075 1.75 . . . . 0.0 108.55 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.3 p -127.36 -70.68 0.7 Allowed 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.75 -169.74 15.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.257 1.408 . . . . 0.0 110.13 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.2 165.64 16.63 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.117 1.878 . . . . 0.0 112.107 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -128.94 156.63 43.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.262 1.425 . . . . 0.0 108.7 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.51 123.85 36.12 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -103.57 129.63 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.382 1.473 . . . . 0.0 107.148 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.78 134.35 15.44 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.75 32.08 39.5 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.492 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 76.52 -1.83 2.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.996 2.118 . . . . 0.0 113.126 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -85.23 -176.51 6.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.329 1.422 . . . . 0.0 111.642 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -145.76 132.7 20.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.422 1.489 . . . . 0.0 108.446 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -150.6 156.72 41.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.659 1.583 . . . . 0.0 108.646 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 33.7 m170 -71.36 148.17 93.35 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 116.918 -1.913 . . . . 0.0 106.074 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.83 -46.7 27.53 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.362 2.708 . . . . 0.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.61 -3.51 1.08 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.343 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.1 m -129.9 20.36 5.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.532 1.533 . . . . 0.0 112.77 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.91 88.95 3.03 Favored 'General case' 0 N--CA 1.448 -0.57 1 N-CA-C 98.508 -4.627 . . . . 0.0 98.508 176.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.32 159.59 42.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.87 0.868 . . . . 0.0 112.379 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.52 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.5 t -63.7 124.71 22.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.492 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 47.8 tpp -51.46 -46.18 62.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.676 1.125 . . . . 0.0 110.609 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -60.75 -20.42 61.27 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.672 ' SG ' HG12 ' A' ' 49' ' ' VAL . 17.8 p -142.43 -8.37 0.87 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? 62.16 9.95 3.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.346 1.858 . . . . 0.0 114.122 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.672 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.8 p -76.0 138.55 20.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -58.5 151.03 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.23 0.956 . . . . 0.0 110.652 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.09 104.85 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 103.938 -2.616 . . . . 0.0 103.938 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -80.37 177.27 9.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.868 0.842 . . . . 0.0 110.577 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.24 3.81 0.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.243 1.817 . . . . 0.0 114.254 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.07 -0.98 2.38 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.478 1.513 . . . . 0.0 113.921 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 161.62 30.64 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.257 1.528 . . . . 0.0 113.671 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.84 109.71 15.66 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -135.7 171.09 14.96 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.38 145.0 27.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.17 1.788 . . . . 0.0 109.755 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 102.91 9.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.96 136.08 25.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 124.328 1.051 . . . . 0.0 108.412 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 43.61 33.36 0.66 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.735 2.414 . . . . 0.0 113.341 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 p80 38.99 39.91 0.41 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.859 2.064 . . . . 0.0 112.626 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.61 -16.55 0.32 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -133.58 144.07 49.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.924 1.238 . . . . 0.0 110.138 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -108.99 137.76 46.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.828 1.251 . . . . 0.0 111.561 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -136.02 161.38 35.84 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.762 1.225 . . . . 0.0 112.14 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.6 OUTLIER -93.97 156.72 16.46 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.84 -44.61 92.08 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.16 0.891 . . . . 0.0 112.195 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.79 -36.85 75.12 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.64 1.22 . . . . 0.0 111.994 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.46 -49.21 15.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.411 1.484 . . . . 0.0 110.378 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -56.87 -35.43 68.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.594 0.633 . . . . 0.0 110.717 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -60.15 -32.89 71.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.867 1.667 . . . . 0.0 112.057 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.38 -32.05 73.5 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.024 1.33 . . . . 0.0 112.193 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 CA--C 1.533 0.322 0 C-N-CA 123.922 0.889 . . . . 0.0 109.029 -179.557 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 CA-C-O 121.318 0.399 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -95.94 108.89 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.516 1.527 . . . . 0.0 109.424 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.03 150.75 39.43 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.431 1.093 . . . . 0.0 108.626 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 34.5 t -75.47 110.29 9.72 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -46.68 -45.72 19.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.386 0.994 . . . . 0.0 112.197 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.23 33.45 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.136 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -101.22 -16.1 17.11 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 75.88 8.21 3.61 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.685 1.594 . . . . 0.0 110.856 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -106.06 150.63 25.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.595 1.558 . . . . 0.0 111.517 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.62 168.73 12.46 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 129.325 3.05 . . . . 0.0 113.103 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.82 164.39 30.22 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.561 1.944 . . . . 0.0 107.89 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.6 p -125.66 -50.25 1.62 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.388 1.075 . . . . 0.0 108.537 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.2 -157.39 6.12 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 126.296 1.903 . . . . 0.0 111.63 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -68.81 169.11 18.4 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.546 2.164 . . . . 0.0 112.765 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 8.5 p90 -147.53 172.68 13.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.007 2.123 . . . . 0.0 108.536 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 48.2 tpp -118.29 147.19 43.7 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -133.79 138.5 50.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 125.949 1.699 . . . . 0.0 109.352 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.99 143.74 9.51 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.633 1.973 . . . . 0.0 105.805 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.44 25.39 34.11 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.578 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 75.68 6.22 3.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.298 2.239 . . . . 0.0 111.915 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.13 174.3 8.33 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.642 -1.286 . . . . 0.0 112.099 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -135.6 122.75 21.57 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.705 -1.247 . . . . 0.0 108.213 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.03 156.17 47.41 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 24.3 m170 -71.27 155.14 93.33 Favored Pre-proline 0 N--CA 1.471 0.586 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.908 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.88 -15.81 40.69 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.305 2.67 . . . . 0.0 112.549 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.92 8.86 44.56 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.602 1.161 . . . . 0.0 111.066 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.8 m -133.5 -18.66 2.18 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.479 ' CD2' ' HG2' ' A' ' 30' ' ' MET . 69.0 t80 -73.78 99.87 3.28 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.18 21.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.7 t -65.67 123.56 20.04 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.74 -34.31 74.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.525 1.966 . . . . 0.0 113.222 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -73.91 -24.8 59.74 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.742 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -124.4 -11.37 7.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -177.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 66.57 4.24 3.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.047 2.139 . . . . 0.0 114.777 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.742 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.7 p -76.94 136.91 23.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 121.48 1.946 . . . . 0.0 107.487 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.89 147.54 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.623 1.202 . . . . 0.0 108.975 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.26 97.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 102.706 -3.072 . . . . 0.0 102.706 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.74 160.84 24.88 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.451 1.501 . . . . 0.0 111.324 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.36 106.17 2.41 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.48 -17.29 6.17 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.908 1.718 . . . . 0.0 112.091 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.67 -174.5 3.92 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.702 1.251 . . . . 0.0 108.238 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.9 111.62 14.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 119.924 -1.735 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.37 -172.43 4.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 108.846 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.89 109.55 5.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 103.093 -2.929 . . . . 0.0 103.093 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.96 108.72 21.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.07 157.48 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.898 1.679 . . . . 0.0 107.125 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.61 -33.23 71.22 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.107 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -79.09 150.27 31.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 59.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.688 0.795 . . . . 0.0 110.779 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.7 m -140.17 118.66 12.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 128.739 2.816 . . . . 0.0 103.484 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.75 152.53 24.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.924 0.89 . . . . 0.0 111.825 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.54 173.9 11.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.098 0.559 . . . . 0.0 111.59 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.44 147.7 22.72 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.35 74.94 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.297 0.953 . . . . 0.0 112.719 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -64.03 -32.14 73.58 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.994 1.397 . . . . 0.0 112.37 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.76 -40.68 20.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.098 0.959 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -66.38 -21.17 66.23 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.156 0.889 . . . . 0.0 109.296 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.45 -36.49 80.54 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 121.128 -0.983 . . . . 0.0 108.853 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.29 -33.22 63.17 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.441 0.696 . . . . 0.0 110.223 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.029 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -113.72 149.73 34.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.051 0.929 . . . . 0.0 110.268 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -127.77 151.91 48.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.887 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 24.4 t -63.88 117.51 7.07 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.49 -25.58 26.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.858 1.208 . . . . 0.0 110.677 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.39 -25.37 63.59 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 117.271 -1.85 . . . . 0.0 113.907 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 p -131.24 0.25 4.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 35.9 p 61.74 4.36 1.06 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.78 1.632 . . . . 0.0 114.1 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -94.79 149.1 21.59 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.517 -1.364 . . . . 0.0 108.536 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.8 159.52 30.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 129.291 3.036 . . . . 0.0 114.843 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 149.6 52.49 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.597 2.359 . . . . 0.0 105.3 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -133.58 -18.1 2.21 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.91 -148.09 16.05 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -71.49 157.19 56.88 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 121.654 1.57 . . . . 0.0 111.206 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -150.16 153.97 37.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.284 2.234 . . . . 0.0 106.333 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 40.8 tpp -91.68 142.37 27.69 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.35 128.69 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -170.68 154.91 4.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.303 1.041 . . . . 0.0 108.459 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.79 30.04 35.18 Favored Glycine 0 C--O 1.222 -0.644 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.715 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.27 23.2 pt-20 53.9 20.78 2.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.295 1.838 . . . . 0.0 114.392 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -123.6 -174.11 2.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.472 1.509 . . . . 0.0 109.237 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -128.82 130.17 46.61 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.139 0.976 . . . . 0.0 108.439 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -139.7 151.12 45.62 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 121.067 -1.02 . . . . 0.0 110.736 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 15.6 m170 -64.66 144.44 98.77 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.7 -36.54 51.61 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 CA-C-N 120.032 1.047 . . . . 0.0 112.083 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.67 2.63 7.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.438 1.095 . . . . 0.0 113.443 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.5 3.96 11.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.821 1.249 . . . . 0.0 110.735 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -87.26 98.11 11.15 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.83 158.2 39.04 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 32.0 t -63.8 124.68 22.12 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 117.533 -1.222 . . . . 0.0 107.74 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.4 mtp -56.99 -44.71 82.99 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.387 0.994 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m -67.18 -17.28 64.77 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.9 p -136.16 -7.89 2.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 50.08 65.21 1.5 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.268 1.427 . . . . 0.0 111.794 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -122.47 126.7 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -66.84 124.15 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.39 148.01 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 104.743 -2.317 . . . . 0.0 104.743 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -133.91 179.79 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.282 1.833 . . . . 0.0 108.157 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.44 43.97 0.25 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.987 1.315 . . . . 0.0 109.291 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.41 13.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.658 0 CA-C-O 117.836 -1.536 . . . . 0.0 114.359 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -132.36 130.83 41.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 120.65 2.225 . . . . 0.0 105.754 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 140.68 58.86 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.576 0.751 . . . . 0.0 112.144 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -133.39 163.24 29.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.35 24.9 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 119.66 40.08 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -97.08 120.5 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 38.27 48.66 1.19 Allowed 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 128.182 2.593 . . . . 0.0 114.026 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.9 m170 44.82 44.97 8.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.684 1.194 . . . . 0.0 109.844 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.43 -38.66 0.2 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -123.49 143.41 50.19 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.273 1.852 . . . . 0.0 112.322 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.1 tp -108.41 118.32 36.45 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 125.64 1.576 . . . . 0.0 112.145 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.51 170.72 11.15 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.562 1.145 . . . . 0.0 109.425 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.12 158.29 15.85 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.89 -44.61 94.31 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -58.37 -44.81 89.02 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.454 1.127 . . . . 0.0 110.668 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.267 1.5 m -64.47 -48.52 74.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.08 1.352 . . . . 0.0 110.89 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.52 -28.79 70.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.004 0.82 . . . . 0.0 110.461 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.4 -30.97 48.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.91 1.284 . . . . 0.0 110.255 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.25 -39.53 22.9 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.059 1.343 . . . . 0.0 112.299 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 CA-C-O 122.244 0.914 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -78.45 150.73 32.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 127.637 2.375 . . . . 0.0 108.269 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.34 151.46 48.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.019 -1.05 . . . . 0.0 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 7.2 t -72.27 104.39 3.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -40.6 -58.76 1.52 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.81 2.044 . . . . 0.0 111.177 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.51 53.75 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 117.499 -1.723 . . . . 0.0 116.051 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.3 p -113.57 -12.88 12.82 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.708 2.254 . . . . 0.0 116.715 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 65.3 47.8 2.29 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.72 1.145 . . . . 0.0 110.495 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -136.13 148.55 48.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.482 1.513 . . . . 0.0 108.278 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.03 156.12 29.1 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.35 1.86 . . . . 0.0 110.6 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -119.3 143.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.95 1.3 . . . . 0.0 108.271 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -116.29 -28.39 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.809 0.693 . . . . 0.0 109.313 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.61 177.2 21.2 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.236 1.398 . . . . 0.0 112.294 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.19 169.58 11.97 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 124.907 3.738 . . . . 0.0 113.229 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -149.92 173.22 14.04 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.914 1.286 . . . . 0.0 110.255 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 56.6 mtp -112.01 156.36 22.28 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.99 128.88 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 121.228 -0.92 . . . . 0.0 109.218 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.63 25.88 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.396 2.279 . . . . 0.0 107.307 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.64 33.99 35.02 Favored Glycine 0 C--O 1.221 -0.677 0 CA-C-O 117.368 -1.796 . . . . 0.0 114.443 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.288 2.1 pt-20 53.57 13.13 0.44 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.945 2.498 . . . . 0.0 116.616 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -122.56 168.32 12.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.442 1.474 . . . . 0.0 110.851 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -114.77 122.79 47.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.407 1.083 . . . . 0.0 110.222 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.99 160.59 30.63 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.528 1.131 . . . . 0.0 108.816 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 15.5 m80 -70.51 156.46 91.89 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.522 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.59 -6.43 16.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 124.188 3.259 . . . . 0.0 111.694 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -116.56 9.29 14.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.197 1.799 . . . . 0.0 111.336 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.7 m -143.47 40.99 1.46 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.938 1.295 . . . . 0.0 111.441 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -126.74 88.59 2.85 Favored 'General case' 0 C--N 1.324 -0.513 1 N-CA-C 98.571 -4.603 . . . . 0.0 98.571 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.35 163.36 33.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.89 123.46 19.03 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.919 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttm -57.61 -38.33 74.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.939 1.7 . . . . 0.0 112.258 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -73.77 -19.18 60.85 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.663 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -135.67 -5.8 2.22 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -179.019 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.78 3.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.18 2.192 . . . . 0.0 114.725 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -69.67 132.02 33.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 120.745 1.611 . . . . 0.0 108.474 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.2 mm -60.77 138.33 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.857 1.663 . . . . 0.0 109.368 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.88 123.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 103.36 -2.829 . . . . 0.0 103.36 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -116.34 173.3 6.67 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.182 1.793 . . . . 0.0 108.447 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.97 92.62 1.29 Allowed 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.32 -25.92 1.55 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.36 1.457 . . . . 0.0 111.185 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.48 145.65 26.16 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.08 119.35 24.38 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.744 -0.598 . . . . 0.0 111.75 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -95.7 164.71 12.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.684 1.193 . . . . 0.0 107.915 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.9 109.43 4.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.95 135.42 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -130.03 125.67 60.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.415 0.552 . . . . 0.0 109.921 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 34.35 44.65 0.11 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 129.422 3.089 . . . . 0.0 114.004 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p80 39.03 36.23 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.159 1.783 . . . . 0.0 113.01 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.64 -11.92 0.69 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.222 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -148.17 159.93 43.44 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.909 1.231 . . . . 0.0 108.891 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.0 tp -131.51 136.13 47.63 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.913 1.685 . . . . 0.0 108.224 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.58 175.33 9.52 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.347 1.459 . . . . 0.0 110.089 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.3 153.23 18.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.95 97.21 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.068 0.849 . . . . 0.0 112.703 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -65.63 -28.45 69.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.964 -1.315 . . . . 0.0 113.309 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.335 78.5 m -93.74 -31.67 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.126 0.97 . . . . 0.0 110.541 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -69.24 -25.66 64.4 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.8 -34.43 69.61 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.242 1.417 . . . . 0.0 110.554 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.61 -29.49 68.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.787 1.235 . . . . 0.0 111.048 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.232 0.154 0 C-N-CA 125.166 1.387 . . . . 0.0 109.421 -179.536 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.831 0 CA-C-O 122.229 0.905 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -84.03 145.13 28.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.779 0.832 . . . . 0.0 110.573 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -128.21 155.26 44.8 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.369 1.467 . . . . 0.0 110.627 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t -71.38 109.98 5.71 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -47.24 -39.34 14.03 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.663 1.185 . . . . 0.0 110.242 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 -34.76 78.13 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-O 116.663 -2.187 . . . . 0.0 116.037 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 15.1 p -116.2 -8.46 11.74 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 81.11 -16.12 0.67 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.809 1.64 . . . . 0.0 111.954 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.46 144.69 30.28 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.957 -1.09 . . . . 0.0 109.766 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.95 163.26 27.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.59 2.356 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.42 101.5 6.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.4 p -82.4 73.13 9.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.96 -151.52 23.15 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.6 169.3 14.62 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 123.389 2.726 . . . . 0.0 112.891 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -148.12 163.92 35.47 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 126.119 1.767 . . . . 0.0 109.798 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.4 ttt -113.65 140.78 47.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.13 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.72 134.84 14.9 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.016 1.726 . . . . 0.0 106.652 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.86 10.6 32.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.894 -0.948 . . . . 0.0 112.89 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 87.43 -9.48 0.59 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 130.155 3.382 . . . . 0.0 112.604 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.0 177.55 8.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.303 1.841 . . . . 0.0 109.814 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -137.9 129.44 28.07 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.171 0.896 . . . . 0.0 111.516 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -139.73 159.07 43.02 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.862 0.865 . . . . 0.0 111.668 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 21.8 m80 -68.27 149.38 98.11 Favored Pre-proline 0 N--CA 1.473 0.677 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.25 -51.39 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 123.823 3.015 . . . . 0.0 112.606 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.06 -42.64 90.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 122.27 1.033 . . . . 0.0 110.184 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.33 13.1 1.0 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -110.31 82.05 1.53 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 101.018 -3.697 . . . . 0.0 101.018 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.97 167.24 20.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 112.614 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.1 t -77.52 123.79 27.05 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.99 -49.76 76.4 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 120.395 1.452 . . . . 0.0 108.671 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -57.85 -22.85 50.03 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -137.46 -7.01 1.74 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 71.78 -7.85 1.19 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 128.743 2.817 . . . . 0.0 115.438 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.3 p -63.27 137.95 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 120.786 1.63 . . . . 0.0 110.256 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -70.83 147.36 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.833 1.653 . . . . 0.0 106.787 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -121.89 94.51 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.752 1.16 . . . . 0.0 108.577 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -78.12 172.09 14.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.305 1.042 . . . . 0.0 109.565 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -11.91 3.19 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.77 -17.43 44.65 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 118.038 -1.424 . . . . 0.0 114.866 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.51 140.19 39.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.838 1.819 . . . . 0.0 109.517 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.42 106.8 2.64 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.536 1.134 . . . . 0.0 113.375 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -85.74 -173.54 4.67 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.51 1.124 . . . . 0.0 108.322 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.79 152.31 34.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.98 99.49 4.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.18 130.72 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -55.91 -6.83 0.25 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.53 2.332 . . . . 0.0 114.524 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -67.76 -0.61 4.28 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.595 2.358 . . . . 0.0 113.112 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 80.09 7.86 1.56 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.742 2.817 . . . . 0.0 112.225 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -113.82 150.66 33.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.312 1.445 . . . . 0.0 109.233 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.85 141.39 40.97 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.364 1.465 . . . . 0.0 108.298 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.29 159.33 42.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.01 1.724 . . . . 0.0 110.017 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.13 157.39 16.31 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 102.311 -3.218 . . . . 0.0 102.311 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.37 -46.54 52.19 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 118.599 -1.112 . . . . 0.0 111.844 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.47 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.78 -51.06 70.95 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.985 1.392 . . . . 0.0 111.527 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.39 -38.41 86.97 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.265 1.026 . . . . 0.0 111.769 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -69.53 -39.15 77.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.69 -17.28 60.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.517 1.127 . . . . 0.0 111.743 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.56 -48.97 11.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.445 -0.784 . . . . 0.0 111.515 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 122.808 0.443 . . . . 0.0 112.176 -178.556 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.238 0 CA-C-O 122.067 0.815 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -139.19 166.44 24.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.281 1.832 . . . . 0.0 109.613 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -128.95 163.95 24.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.687 2.795 . . . . 0.0 109.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 41.4 t -69.55 112.83 6.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 116.616 -1.659 . . . . 0.0 108.134 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -64.83 19.8 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.182 1.793 . . . . 0.0 114.818 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -126.82 -36.16 0.53 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 128.939 3.161 . . . . 0.0 110.13 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.63 -2.7 7.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m 67.33 -3.35 1.05 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.573 1.949 . . . . 0.0 113.497 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.0 153.91 22.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 120.48 1.491 . . . . 0.0 108.313 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.31 158.64 36.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.136 2.175 . . . . 0.0 113.555 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -121.32 154.34 36.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 127.671 2.389 . . . . 0.0 106.202 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -143.05 -8.01 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.587 0.755 . . . . 0.0 112.448 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.31 -148.15 7.36 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.129 1.347 . . . . 0.0 111.173 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.02 165.68 29.3 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.048 1.832 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -147.93 173.45 12.85 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.16 1.784 . . . . 0.0 106.88 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 95.9 mtp -120.0 147.95 44.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -109.44 127.59 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.12 142.43 11.69 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.58 33.4 54.45 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.135 -1.37 . . . . 0.0 112.754 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.271 8.1 pt-20 60.28 -5.13 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.981 2.912 . . . . 0.0 115.887 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.52 -171.99 2.4 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.121 1.368 . . . . 0.0 111.236 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -134.0 138.59 45.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.219 1.407 . . . . 0.0 108.492 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -147.44 164.26 33.92 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.502 1.121 . . . . 0.0 108.674 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 26.7 m80 -63.89 154.35 81.55 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 117.998 -1.481 . . . . 0.0 112.259 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.36 -5.63 16.43 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 125.116 3.877 . . . . 0.0 113.349 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -114.32 9.6 16.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.876 2.07 . . . . 0.0 111.079 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.273 7.2 m -121.57 -4.31 9.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.468 -1.395 . . . . 0.0 114.495 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -87.67 91.68 8.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 102.299 -3.223 . . . . 0.0 102.299 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.63 153.06 51.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.33 1.052 . . . . 0.0 111.635 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -68.25 123.77 21.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.44 -30.7 71.42 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.626 1.103 . . . . 0.0 111.915 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -33.03 69.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.3 p -124.04 -10.58 7.63 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.113 1.524 . . . . 0.0 115.113 -177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp 66.28 7.49 4.93 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.159 1.784 . . . . 0.0 115.315 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.569 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.8 p -73.86 142.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 105.358 -2.089 . . . . 0.0 105.358 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.1 mm -69.05 148.61 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.59 102.53 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 103.543 -2.762 . . . . 0.0 103.543 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.8 171.54 7.72 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.1 10.59 0.28 Allowed 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.036 -1.04 . . . . 0.0 112.477 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.0 28.1 4.18 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.408 1.956 . . . . 0.0 116.813 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -131.69 177.04 7.82 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.585 2.692 . . . . 0.0 108.272 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.55 144.06 36.72 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.366 -0.834 . . . . 0.0 109.292 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -136.4 169.34 17.83 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.153 0.981 . . . . 0.0 109.856 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.69 130.31 16.92 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.7 mt -98.82 119.88 38.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.73 124.88 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 38.85 46.08 1.02 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.283 2.233 . . . . 0.0 112.001 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 44.03 23.84 0.07 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.959 2.903 . . . . 0.0 114.765 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.39 -6.06 2.28 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.6 m -136.15 140.43 43.64 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 tp -118.69 128.79 54.85 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.07 0.948 . . . . 0.0 112.201 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -133.44 161.69 33.89 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.982 0.913 . . . . 0.0 110.569 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.11 161.59 14.69 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -48.69 44.07 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.816 0.735 . . . . 0.0 113.135 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -62.78 -36.05 81.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.688 1.244 . . . . 0.0 112.845 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.84 -51.11 11.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.655 1.182 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.61 -30.56 68.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.988 0.813 . . . . 0.0 110.743 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -60.94 -22.99 64.94 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.945 -0.472 . . . . 0.0 111.931 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -79.67 -42.26 25.15 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.922 1.289 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.82 -179.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 121.564 0.536 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.17 149.46 22.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.22 1.808 . . . . 0.0 109.655 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -128.54 150.96 49.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.661 1.985 . . . . 0.0 107.715 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -55.55 116.88 3.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.739 1.154 . . . . 0.0 110.053 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -73.53 31.12 0.07 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.87 1.668 . . . . 0.0 112.849 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.16 -31.77 0.32 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 128.044 2.735 . . . . 0.0 110.626 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -129.73 -0.78 4.85 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m 70.69 -8.52 0.91 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.436 1.494 . . . . 0.0 113.49 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 154.32 22.65 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.313 1.869 . . . . 0.0 111.319 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 26' ' ' THR . 25.1 tp -68.96 143.69 54.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 127.335 2.254 . . . . 0.0 112.93 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -20.25 49.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.242 1.017 . . . . 0.0 111.963 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.51 ' H ' ' HG ' ' A' ' 24' ' ' LEU . 64.0 p 55.11 35.13 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.793 1.637 . . . . 0.0 111.584 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.4 -108.37 0.69 Allowed Glycine 0 CA--C 1.527 0.799 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.828 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.84 153.72 58.67 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.902 2.401 . . . . 0.0 114.681 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -149.88 175.07 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 128.722 2.809 . . . . 0.0 107.811 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.3 mtp -118.69 149.79 40.83 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -124.43 130.0 73.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.783 0.833 . . . . 0.0 110.955 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.99 132.96 15.15 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.44 18.66 58.9 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 76.41 -3.41 2.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.439 2.695 . . . . 0.0 111.545 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -79.17 164.13 24.47 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.243 1.817 . . . . 0.0 110.516 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -119.61 125.13 48.02 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.787 0.835 . . . . 0.0 111.516 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -137.26 154.91 50.03 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.351 0.66 . . . . 0.0 110.28 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -67.9 150.65 97.69 Favored Pre-proline 0 N--CA 1.48 1.044 0 CA-C-O 117.012 -1.471 . . . . 0.0 108.196 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.83 -46.54 19.33 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.546 2.164 . . . . 0.0 111.425 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.14 1.34 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.151 -0.968 . . . . 0.0 113.158 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -120.58 1.18 10.59 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.235 1.414 . . . . 0.0 112.084 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -91.07 98.55 11.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 100.494 -3.891 . . . . 0.0 100.494 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.33 160.89 39.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 35.2 t -65.27 123.06 18.58 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.75 -31.63 69.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.854 1.207 . . . . 0.0 112.073 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -44.09 40.97 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.615 1.566 . . . . 0.0 114.72 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 49' ' ' VAL . 3.7 p -105.99 -5.89 19.2 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 62.35 -0.27 0.53 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.742 2.417 . . . . 0.0 116.192 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.8 p -68.1 143.9 14.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-N 120.688 1.586 . . . . 0.0 108.856 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.24 139.08 20.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -105.68 110.84 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 101.98 -3.341 . . . . 0.0 101.98 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.98 164.69 10.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.936 0.494 . . . . 0.0 111.148 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.19 50.63 0.92 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.171 2.188 . . . . 0.0 109.87 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.65 -21.11 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 128.711 3.053 . . . . 0.0 110.901 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.77 149.82 48.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.764 1.782 . . . . 0.0 109.071 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 86.09 1.07 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.802 0.811 . . . . 0.0 109.733 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -78.88 169.95 17.44 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.069 1.348 . . . . 0.0 109.565 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.95 109.34 3.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tp -90.6 156.57 18.04 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 62' ' ' HIS . 90.5 t -127.04 159.94 36.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 125.016 1.326 . . . . 0.0 108.475 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -60.79 1.45 0.14 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 0.0 113.133 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 60' ' ' VAL . 32.6 t60 -111.89 167.47 10.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.046 2.938 . . . . 0.0 108.488 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.52 67.04 7.33 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.5 m -149.9 152.2 34.66 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 120.47 -1.394 . . . . 0.0 109.21 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 tp -128.77 142.15 51.08 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.328 1.851 . . . . 0.0 109.184 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.68 169.31 17.74 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.564 1.146 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.9 160.28 14.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.34 -44.56 89.67 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.044 0.838 . . . . 0.0 112.985 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -59.32 5.55 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.215 1.008 . . . . 0.0 109.738 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.28 63.6 m -59.0 -32.71 69.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.28 1.032 . . . . 0.0 112.606 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -64.07 -39.56 94.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.818 1.19 . . . . 0.0 109.021 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -70.04 -40.26 75.25 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -60.97 -25.65 67.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.205 1.802 . . . . 0.0 112.932 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 119.128 0.877 . . . . 0.0 110.883 179.661 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.365 0 CA-C-O 122.299 0.944 . . . . 0.0 112.838 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -115.61 109.06 17.22 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -72.84 129.01 37.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.115 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.91 114.77 6.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.133 -1.413 . . . . 0.0 108.021 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.12 -23.35 46.53 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.662 1.119 . . . . 0.0 110.021 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.21 -27.48 63.91 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.973 -1.459 . . . . 0.0 113.747 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.08 -1.55 1.95 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 58.8 52.71 6.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.827 1.194 . . . . 0.0 110.362 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -142.67 154.99 44.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.805 1.242 . . . . 0.0 108.412 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 tp -73.76 122.63 22.72 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.608 1.963 . . . . 0.0 113.042 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.6 ptp -83.98 152.56 24.38 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -136.56 -11.85 1.82 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.18 -152.61 10.67 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.112 1.339 . . . . 0.0 109.854 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.31 169.53 12.23 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.16 2.573 . . . . 0.0 110.971 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -140.57 172.32 12.88 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.333 0.653 . . . . 0.0 112.608 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 91.5 mtp -131.75 162.66 29.97 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -134.41 141.83 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 125.063 1.345 . . . . 0.0 107.82 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.69 123.99 8.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.23 32.33 71.61 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-O 119.107 -0.829 . . . . 0.0 114.241 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 74.46 6.6 4.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.526 1.13 . . . . 0.0 111.741 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -106.76 159.15 16.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.364 . . . . 0.0 109.344 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -105.64 122.58 46.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.257 1.023 . . . . 0.0 112.214 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -133.34 149.6 51.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.187 1.395 . . . . 0.0 110.655 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -78.28 155.56 79.31 Favored Pre-proline 0 N--CA 1.476 0.874 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -59.61 -47.85 15.01 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 124.138 3.226 . . . . 0.0 112.616 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.39 4.42 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.68 1.992 . . . . 0.0 114.886 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.17 4.6 2.48 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.51 1.524 . . . . 0.0 110.586 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.62 85.27 7.45 Favored 'General case' 0 N--CA 1.45 -0.46 1 N-CA-C 98.324 -4.695 . . . . 0.0 98.324 177.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -140.41 154.07 46.55 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.025 -1.047 . . . . 0.0 113.683 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.553 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 11.2 t -63.67 123.76 19.67 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.43 ' HG3' HG23 ' A' ' 64' ' ' THR . 6.7 mmt -56.01 -49.38 73.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.118 0.872 . . . . 0.0 111.828 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -62.17 -26.28 68.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -126.35 -11.1 6.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -176.612 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp 50.18 63.5 2.17 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.222 1.809 . . . . 0.0 111.82 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.9 p -124.65 133.54 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.32 135.44 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.59 92.74 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 100.996 -3.705 . . . . 0.0 100.996 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.17 174.54 6.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.236 0.541 . . . . 0.0 109.85 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.93 -12.01 4.03 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.349 1.459 . . . . 0.0 113.932 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.0 -8.92 38.24 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 117.487 -1.729 . . . . 0.0 113.833 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.51 150.96 23.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.638 2.219 . . . . 0.0 108.371 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.61 87.04 5.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.52 0.676 . . . . 0.0 110.66 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.66 169.03 19.04 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.809 0.844 . . . . 0.0 111.252 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.44 153.16 40.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.156 1.782 . . . . 0.0 107.767 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -133.33 127.08 32.76 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.722 1.209 . . . . 0.0 110.581 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 62' ' ' HIS . 54.1 t -93.86 158.53 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.81 -17.87 10.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.473 ' H ' HG12 ' A' ' 60' ' ' VAL . 16.8 m170 -88.57 -179.66 6.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.688 1.995 . . . . 0.0 110.315 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.24 49.18 1.09 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 45' ' ' MET . 18.6 m -143.57 143.71 31.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.249 1.019 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.64 144.31 48.83 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.41 176.06 8.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 122.397 1.094 . . . . 0.0 109.261 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.74 161.46 14.32 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.18 -44.62 93.15 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.754 1.161 . . . . 0.0 112.233 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -61.14 -33.03 72.75 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.834 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.253 1.3 m -79.32 -42.94 24.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.188 1.795 . . . . 0.0 110.483 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -66.14 -41.91 89.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.563 1.074 . . . . 0.0 110.81 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.46 -21.07 61.92 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.565 0.746 . . . . 0.0 111.964 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -85.96 -44.37 12.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.308 1.043 . . . . 0.0 110.509 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.469 0.495 0 O-C-N 121.042 -1.036 . . . . 0.0 111.838 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.352 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 154.83 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.957 1.303 . . . . 0.0 108.097 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -128.46 147.7 50.69 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.606 1.562 . . . . 0.0 107.768 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 t -68.7 109.62 3.9 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.527 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -50.36 -40.77 50.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.232 1.833 . . . . 0.0 111.276 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.93 -34.63 30.73 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.368 -1.24 . . . . 0.0 113.632 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.7 p -122.72 -10.26 8.32 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.308 1.554 . . . . 0.0 114.35 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m 70.48 0.12 3.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.735 2.814 . . . . 0.0 113.417 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.96 159.52 18.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.558 1.072 . . . . 0.0 109.23 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 25' ' ' MET . 49.4 tp -62.63 164.12 8.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.46 1.904 . . . . 0.0 111.578 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.405 ' H ' HD12 ' A' ' 24' ' ' LEU . 24.0 ptp -125.27 152.09 45.1 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.035 2.134 . . . . 0.0 106.393 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.7 p -115.87 -6.09 12.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.24 -133.98 1.94 Allowed Glycine 0 CA--C 1.526 0.747 0 CA-C-O 118.29 -1.283 . . . . 0.0 110.162 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -65.56 170.14 11.59 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.452 2.768 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.64 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 6.5 p90 -142.34 169.01 18.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 127.281 2.232 . . . . 0.0 107.167 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.5 mtp -116.23 128.69 55.81 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.17 129.17 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.59 140.47 17.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.27 22.92 23.91 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.789 -1.006 . . . . 0.0 113.889 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 75.19 11.75 3.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.28 2.232 . . . . 0.0 112.468 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.71 179.04 5.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.305 1.842 . . . . 0.0 112.304 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 25.3 mmtp -132.76 122.09 24.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.589 1.556 . . . . 0.0 107.817 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.87 150.52 50.47 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -61.5 149.92 82.37 Favored Pre-proline 0 N--CA 1.473 0.715 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.267 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 -5.64 17.47 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.295 3.33 . . . . 0.0 113.663 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -118.12 16.4 14.11 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.582 1.953 . . . . 0.0 109.306 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.7 m -135.54 3.16 3.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -83.87 115.7 22.4 Favored 'General case' 0 C--N 1.328 -0.328 1 N-CA-C 100.125 -4.028 . . . . 0.0 100.125 177.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.74 159.96 43.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.281 0.946 . . . . 0.0 112.518 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.9 t -66.47 123.33 19.72 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 100.54 -3.874 . . . . 0.0 100.54 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -58.2 -54.24 49.26 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 121.482 1.946 . . . . 0.0 108.507 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -59.08 3.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.747 2.019 . . . . 0.0 113.462 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -91.36 -9.58 44.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt 64.42 -0.09 0.98 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.868 2.467 . . . . 0.0 115.628 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.621 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.0 p -70.68 143.87 14.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 120.694 1.588 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.0 mm -66.0 144.09 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 124.683 1.193 . . . . 0.0 109.064 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -114.74 139.75 39.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -126.77 175.76 7.76 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 126.53 1.932 . . . . 0.0 109.115 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.48 49.96 1.39 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 123.065 1.412 . . . . 0.0 107.973 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' ASP . . . -157.86 -11.33 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 C-N-CA 127.696 2.569 . . . . 0.0 112.025 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLY . 5.5 t70 -92.66 -150.54 0.27 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.73 31.35 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -144.62 166.75 24.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 111.792 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.5 125.02 11.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.187 1.395 . . . . 0.0 108.9 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 146.0 24.98 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.71 160.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 126.503 1.921 . . . . 0.0 108.85 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 61' ' ' GLN . 26.8 mp0 -52.08 -57.0 10.89 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.657 1.583 . . . . 0.0 108.235 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.85 146.98 53.83 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.78 62.11 0.1 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.205 2.202 . . . . 0.0 112.479 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -139.32 135.88 34.24 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.0 tp -108.83 138.79 44.6 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.931 1.292 . . . . 0.0 108.632 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -133.98 163.11 30.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.477 1.111 . . . . 0.0 109.238 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.37 162.46 14.25 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.77 16.58 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.885 1.231 . . . . 0.0 113.367 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.65 -52.19 61.83 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.017 0.909 . . . . 0.0 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.284 1.5 m -56.52 -43.48 79.82 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.892 1.277 . . . . 0.0 111.416 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -68.82 -37.02 78.93 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.831 1.196 . . . . 0.0 108.762 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.82 -12.1 22.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.672 0.789 . . . . 0.0 111.413 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -100.2 -45.55 5.59 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.237 1.015 . . . . 0.0 113.092 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 CA-C-O 121.916 0.731 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -98.24 143.45 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.959 1.304 . . . . 0.0 109.199 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -129.28 160.18 33.81 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.798 2.039 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.9 t -73.65 106.95 5.63 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -46.9 -42.35 17.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.743 1.156 . . . . 0.0 113.31 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.13 -27.6 71.68 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.456 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 2.2 p -120.59 -7.12 9.68 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t 70.82 -13.0 0.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.735 1.614 . . . . 0.0 114.052 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.35 148.18 37.61 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 119.853 -1.779 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.91 153.01 25.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.393 1.477 . . . . 0.0 110.509 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.7 ptp -107.53 -50.8 3.01 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.253 7.5 t 43.87 29.58 0.32 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.061 2.144 . . . . 0.0 113.198 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.64 -146.46 4.86 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.211 1.386 . . . . 0.0 111.843 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.55 154.91 61.63 Favored 'Trans proline' 0 C--O 1.241 0.628 0 C-N-CA 122.748 2.299 . . . . 0.0 112.847 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.3 167.68 25.41 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 125.898 1.679 . . . . 0.0 111.237 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.7 mtp -128.52 147.98 50.72 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.65 129.79 74.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 125.0 1.32 . . . . 0.0 112.366 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.34 140.74 15.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.55 20.37 51.39 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.788 -1.007 . . . . 0.0 113.915 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 77.79 5.21 2.91 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.443 2.697 . . . . 0.0 113.353 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -101.53 -177.58 3.47 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.011 1.324 . . . . 0.0 108.614 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -132.18 140.97 48.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -141.51 156.87 45.7 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.75 0.82 . . . . 0.0 110.64 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 38.1 m80 -70.87 147.24 94.01 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -62.8 -31.91 78.03 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.522 2.148 . . . . 0.0 109.935 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.94 -8.67 16.6 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.203 -1.561 . . . . 0.0 111.837 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.96 -4.21 12.6 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.331 1.853 . . . . 0.0 112.619 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -89.5 94.3 9.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.84 167.36 24.97 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 4.2 t -85.57 123.56 31.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 mmt -61.98 -57.6 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.62 1.168 . . . . 0.0 109.01 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.69 -19.11 5.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.471 1.909 . . . . 0.0 115.567 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -130.6 -10.61 4.0 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 52.09 58.76 5.1 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 127.695 2.398 . . . . 0.0 111.692 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.4 p -124.25 137.85 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.31 140.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mt -102.23 108.83 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.29 156.31 35.76 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.71 106.14 3.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.55 -26.4 1.97 Allowed Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.362 -1.244 . . . . 0.0 110.442 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -86.07 153.67 21.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.568 1.684 . . . . 0.0 108.422 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.81 148.25 32.96 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.01 -1.056 . . . . 0.0 111.325 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -143.07 168.21 20.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.741 1.216 . . . . 0.0 109.31 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.59 139.83 29.87 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.04 114.35 26.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -94.22 108.07 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' ALA . 1.6 mp0 48.33 28.42 1.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.026 2.13 . . . . 0.0 113.064 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 m170 71.5 -36.03 0.35 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.909 2.483 . . . . 0.0 110.942 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -59.01 -29.5 67.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.957 2.103 . . . . 0.0 114.622 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.34 155.83 49.94 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.911 1.232 . . . . 0.0 111.066 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -126.22 134.14 51.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.079 1.752 . . . . 0.0 107.833 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -134.89 161.44 35.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.674 1.59 . . . . 0.0 108.966 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.2 161.85 14.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.62 -48.59 60.57 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.608 1.095 . . . . 0.0 112.246 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -58.49 -58.37 8.85 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.265 -1.138 . . . . 0.0 110.795 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.98 -41.72 75.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.211 2.204 . . . . 0.0 112.521 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -73.8 -45.13 53.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.62 0.646 . . . . 0.0 109.915 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -53.83 -37.63 63.79 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 123.71 0.804 . . . . 0.0 109.666 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -63.05 -50.63 69.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.635 1.574 . . . . 0.0 111.811 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.15 -179.094 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.272 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.84 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -128.6 154.21 46.45 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.811 1.644 . . . . 0.0 109.098 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.53 121.44 15.85 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.41 -29.78 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.034 0.834 . . . . 0.0 112.071 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.16 -66.39 2.04 Favored Glycine 0 CA--C 1.522 0.491 0 O-C-N 121.675 -0.641 . . . . 0.0 112.3 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -78.41 -11.6 59.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.07 20.41 12.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.313 1.445 . . . . 0.0 111.912 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.17 153.54 25.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.472 1.509 . . . . 0.0 111.22 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.39 169.08 17.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.974 2.11 . . . . 0.0 111.783 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 156.97 45.35 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.334 1.854 . . . . 0.0 108.384 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 p -136.57 7.68 3.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.761 1.624 . . . . 0.0 110.801 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.6 -166.39 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 128.338 2.875 . . . . 0.0 109.953 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.24 168.99 22.89 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.926 2.418 . . . . 0.0 111.177 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -149.82 169.13 21.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.736 1.615 . . . . 0.0 107.912 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mtp -120.69 161.79 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.34 129.59 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.25 112.92 7.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.74 26.08 64.5 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 118.877 -0.957 . . . . 0.0 113.137 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 77.29 -0.62 2.86 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.457 1.903 . . . . 0.0 111.662 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.44 167.95 13.55 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.082 1.353 . . . . 0.0 110.908 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -120.67 133.2 55.38 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.445 1.098 . . . . 0.0 110.192 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.79 155.03 42.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.092 1.357 . . . . 0.0 108.775 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.08 148.72 60.97 Favored Pre-proline 0 C--O 1.24 0.577 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.64 -48.76 12.01 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.366 2.711 . . . . 0.0 112.799 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -62.77 6.71 0.09 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.237 1.415 . . . . 0.0 114.488 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.9 m -133.17 -8.91 2.99 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.613 1.565 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -78.75 89.33 4.61 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.27 163.84 31.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 22.2 t -69.4 124.22 23.3 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.1 tpp -46.69 -54.11 10.3 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.954 0.902 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.9 m -73.44 -13.35 61.05 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 117.511 2.411 . . . . 0.0 117.511 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.719 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -130.82 -8.95 3.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 122.155 2.252 . . . . 0.0 115.54 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 58.4 5.39 0.43 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.719 HG12 ' SG ' ' A' ' 47' ' ' CYS . 10.3 p -68.92 139.71 20.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 120.772 1.624 . . . . 0.0 108.996 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.7 mm -77.98 120.67 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mt -84.76 164.46 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -131.93 167.31 19.84 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -80.81 63.97 5.41 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.59 23.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 C-N-CA 126.689 2.09 . . . . 0.0 110.819 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -147.65 133.01 18.53 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 121.47 12.46 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 126.478 1.911 . . . . 0.0 113.001 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -117.93 172.84 7.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.842 1.257 . . . . 0.0 108.214 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.2 112.24 7.26 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.67 149.59 31.2 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.32 156.85 21.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.05 176.93 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 110.21 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 m170 57.11 19.15 4.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.1 0.96 . . . . 0.0 111.62 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.53 27.3 13.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.307 2.243 . . . . 0.0 112.018 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -84.6 156.82 21.41 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 tp -150.39 141.41 22.98 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.045 -1.659 . . . . 0.0 109.147 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -134.71 165.88 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.555 0.693 . . . . 0.0 109.523 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.5 161.74 14.5 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -47.91 41.46 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 118.854 0.752 . . . . 0.0 113.172 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -61.94 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.534 1.167 . . . . 0.0 111.815 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.0 -44.8 71.18 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.955 1.702 . . . . 0.0 112.123 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -64.61 -46.27 83.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 119.194 0.906 . . . . 0.0 109.587 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -60.58 -21.91 63.14 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.628 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.17 -58.22 3.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.344 1.058 . . . . 0.0 109.553 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.8 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 118.605 0.639 . . . . 0.0 112.558 -179.143 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.397 0 CA-C-O 122.528 1.071 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -107.4 150.5 26.67 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.528 1.531 . . . . 0.0 109.489 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -129.1 160.07 33.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.609 1.563 . . . . 0.0 109.178 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 29.8 t -74.02 100.79 3.67 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -49.69 -35.18 20.84 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.763 1.225 . . . . 0.0 112.229 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.19 -51.81 54.11 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.778 -1.012 . . . . 0.0 112.159 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.3 -11.27 21.4 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m 63.51 60.28 1.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.012 0.823 . . . . 0.0 109.715 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -147.69 143.07 27.36 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.505 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.1 tp -73.89 169.82 16.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.538 1.935 . . . . 0.0 111.69 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.06 162.85 30.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.294 1.838 . . . . 0.0 107.165 176.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -131.85 13.69 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 111.803 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.21 -155.8 6.65 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.193 1.378 . . . . 0.0 110.613 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.24 167.15 17.08 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 122.694 2.263 . . . . 0.0 111.324 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -145.5 167.92 21.83 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.72 1.208 . . . . 0.0 109.804 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 tpt -108.92 126.94 53.61 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 t -109.57 129.14 64.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.73 142.84 18.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.453 0.701 . . . . 0.0 109.393 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.64 10.68 19.17 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.284 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 88.54 2.92 0.28 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.432 3.493 . . . . 0.0 110.667 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.24 172.38 6.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.172 1.789 . . . . 0.0 109.032 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -130.83 141.36 50.33 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.737 -0.602 . . . . 0.0 112.023 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -144.92 161.11 40.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.692 0.797 . . . . 0.0 113.08 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 23.4 m170 -71.54 146.11 90.99 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.124 -1.417 . . . . 0.0 107.495 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -44.33 30.26 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.295 2.664 . . . . 0.0 110.611 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.35 -3.57 6.24 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.406 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.3 9.86 5.69 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.993 1.317 . . . . 0.0 111.317 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -88.18 89.53 8.03 Favored 'General case' 0 N--CA 1.45 -0.47 1 N-CA-C 98.675 -4.565 . . . . 0.0 98.675 176.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.53 158.02 45.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.7 t -66.07 124.87 23.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -61.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 119.487 1.04 . . . . 0.0 113.317 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -57.96 -28.52 64.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.54 ' SG ' HG12 ' A' ' 49' ' ' VAL . 7.3 p -120.46 -10.68 9.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 67.06 1.47 2.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.753 2.021 . . . . 0.0 114.703 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' SG ' ' A' ' 47' ' ' CYS . 6.3 p -66.02 134.98 29.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-N 120.493 1.497 . . . . 0.0 108.0 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.63 153.32 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.62 109.44 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.93 167.86 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -65.88 -0.37 2.24 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -9.98 37.79 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.746 1.641 . . . . 0.0 110.588 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -83.71 -165.15 1.04 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.26 1.424 . . . . 0.0 107.684 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.91 115.14 10.99 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -108.69 170.24 8.16 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.408 0.683 . . . . 0.0 110.334 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.86 11.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 151.56 43.56 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.49 157.68 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -49.42 -23.31 1.45 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.439 1.896 . . . . 0.0 113.699 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.85 -165.09 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.958 1.703 . . . . 0.0 109.375 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.19 47.93 0.9 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -137.78 139.2 39.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.474 1.11 . . . . 0.0 110.822 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.19 143.68 38.3 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.607 1.963 . . . . 0.0 109.548 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.71 168.9 17.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.494 1.14 . . . . 0.0 113.171 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.59 139.91 30.23 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.54 -35.46 56.81 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-N 119.512 1.051 . . . . 0.0 113.998 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -61.16 -54.84 39.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.288 1.544 . . . . 0.0 110.544 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.1 m -71.9 -34.45 69.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.282 1.033 . . . . 0.0 112.691 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -62.02 -36.34 81.25 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.821 1.191 . . . . 0.0 109.105 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.53 -11.66 26.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.214 0.606 . . . . 0.0 111.325 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.38 -24.52 14.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.691 1.596 . . . . 0.0 109.992 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.47 0.555 0 O-C-N 120.804 -1.185 . . . . 0.0 112.111 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.791 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.16 154.67 25.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.242 -0.979 . . . . 0.0 108.718 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -117.97 159.68 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.212 2.205 . . . . 0.0 107.702 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 43.2 t -74.34 107.54 6.57 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -46.36 -31.84 2.83 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.346 1.458 . . . . 0.0 113.606 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.53 -63.18 3.86 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 p -87.02 -11.79 49.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 41.16 11.61 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.608 1.963 . . . . 0.0 111.56 -177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.59 141.25 51.92 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.0 167.92 1.47 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.736 2.814 . . . . 0.0 113.897 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.05 157.48 45.59 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.026 1.73 . . . . 0.0 110.131 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -136.72 29.12 2.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.876 2.07 . . . . 0.0 110.111 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.66 -168.58 18.9 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.48 168.5 21.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.43 3.42 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -149.42 173.18 13.84 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.571 1.148 . . . . 0.0 110.345 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.8 tpp -105.56 141.03 37.74 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.25 128.31 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.7 142.05 2.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.69 1.596 . . . . 0.0 107.76 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.84 30.28 62.85 Favored Glycine 0 C--O 1.223 -0.565 0 CA-C-O 116.953 -2.026 . . . . 0.0 114.083 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.277 5.4 pt-20 53.97 10.18 0.26 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.084 2.554 . . . . 0.0 114.928 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -107.43 -176.51 3.09 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.457 2.303 . . . . 0.0 110.633 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -128.0 123.06 33.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.894 -1.129 . . . . 0.0 111.423 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -136.35 152.09 50.28 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.205 0.602 . . . . 0.0 110.862 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 31.4 m170 -69.17 150.93 97.27 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.3 -49.37 9.4 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 110.623 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.77 -6.11 3.38 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.87 0.868 . . . . 0.0 112.604 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -119.73 20.62 12.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.537 1.135 . . . . 0.0 111.74 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -116.84 85.59 2.35 Favored 'General case' 0 N--CA 1.449 -0.52 1 N-CA-C 99.424 -4.287 . . . . 0.0 99.424 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.44 159.73 41.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.949 0.9 . . . . 0.0 113.41 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 44.6 t -67.11 123.54 20.55 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -51.23 61.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.181 1.355 . . . . 0.0 113.355 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -60.28 -59.45 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.8 p -84.39 -12.75 53.89 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -176.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 67.85 2.44 3.08 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.697 1.999 . . . . 0.0 114.375 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.4 p -72.61 138.9 20.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 119.777 1.171 . . . . 0.0 108.907 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.11 149.42 11.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.7 mt -113.1 148.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -132.15 177.16 7.78 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.717 1.207 . . . . 0.0 108.42 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.01 20.47 0.1 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.579 1.552 . . . . 0.0 111.65 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.32 -11.48 7.37 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 126.456 1.979 . . . . 0.0 114.334 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -118.4 -165.27 1.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.329 2.065 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.43 140.95 48.8 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.702 1.201 . . . . 0.0 109.416 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -129.88 162.33 28.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.0 150.61 41.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 tp -123.66 114.17 19.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.84 120.29 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 48.35 24.9 0.77 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.829 2.052 . . . . 0.0 112.835 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m170 53.58 32.04 13.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.964 1.306 . . . . 0.0 109.774 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.07 -22.92 3.39 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.459 1.904 . . . . 0.0 113.341 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -140.39 146.33 38.23 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.237 0.926 . . . . 0.0 110.871 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -108.94 133.16 53.31 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.375 1.87 . . . . 0.0 110.91 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.24 166.17 25.23 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.907 0.883 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.81 161.78 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.65 -44.73 86.26 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 120.008 1.276 . . . . 0.0 113.162 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -59.32 -53.56 56.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.55 1.175 . . . . 0.0 109.726 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.11 -37.1 81.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.558 1.543 . . . . 0.0 111.551 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -73.78 -15.99 61.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.329 -0.857 . . . . 0.0 110.054 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -83.11 -13.15 56.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.016 -1.053 . . . . 0.0 111.566 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.91 -31.61 12.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.815 -1.178 . . . . 0.0 111.08 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 118.738 0.699 . . . . 0.0 112.34 -179.291 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -103.9 154.65 19.39 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.77 142.94 50.83 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 8.6 t -65.79 109.56 2.51 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -47.85 -41.96 25.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 124.04 0.837 . . . . 0.0 110.393 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -33.61 60.07 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-O 117.454 -1.748 . . . . 0.0 115.264 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -121.92 -7.65 8.94 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.416 1.608 . . . . 0.0 115.066 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.77 -0.05 1.39 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.629 1.572 . . . . 0.0 113.766 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 mt -79.38 163.95 24.42 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 120.4 -1.438 . . . . 0.0 110.928 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -81.54 151.89 27.52 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.174 2.189 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -135.49 155.98 49.64 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 p -134.36 -9.09 2.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.197 1.399 . . . . 0.0 110.456 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.81 -163.54 25.97 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 127.23 2.348 . . . . 0.0 111.7 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.95 167.56 25.64 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 109.965 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.16 174.34 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.496 1.519 . . . . 0.0 108.416 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.3 ttt -121.49 134.65 55.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.6 t -103.18 129.59 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.69 133.94 14.29 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.3 10.53 42.3 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.277 -0.735 . . . . 0.0 111.622 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 93.9 -20.88 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 1 C-N-CA 132.101 4.16 . . . . 0.0 110.371 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.86 161.39 31.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.221 2.208 . . . . 0.0 110.438 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -110.65 125.25 53.24 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.95 146.65 52.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.006 0.923 . . . . 0.0 108.673 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 14.5 m80 -70.12 151.37 96.01 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.97 -43.26 20.28 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.391 1.394 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 3.44 0.43 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.805 2.042 . . . . 0.0 114.29 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.31 -8.64 3.34 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.438 1.095 . . . . 0.0 111.37 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.0 83.32 8.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 100.456 -3.905 . . . . 0.0 100.456 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.17 153.48 51.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.123 1.369 . . . . 0.0 113.647 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 42.1 t -63.48 123.32 18.48 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.4 mmm -58.02 -49.55 76.46 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.497 1.044 . . . . 0.0 112.543 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -61.38 -58.39 8.42 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.2 p -78.82 -19.15 52.8 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 60.84 48.61 6.72 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 126.065 1.746 . . . . 0.0 111.823 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.7 p -121.92 139.04 50.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -62.26 148.61 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.99 1.431 . . . . 0.0 107.689 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -115.51 82.28 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -72.31 176.83 4.94 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.68 12.17 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.655 1.982 . . . . 0.0 115.71 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.72 -2.41 20.86 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.674 2.083 . . . . 0.0 113.057 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -127.59 136.09 51.18 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.77 110.81 22.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 124.221 1.008 . . . . 0.0 111.613 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -71.0 -179.74 2.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.342 1.457 . . . . 0.0 110.004 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.34 111.42 3.85 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.36 144.31 38.07 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.55 157.42 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.045 1.338 . . . . 0.0 107.925 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -52.59 -36.01 55.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.822 1.249 . . . . 0.0 112.025 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.74 143.99 26.86 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.28 69.37 0.09 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.597 1.559 . . . . 0.0 113.272 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -141.03 147.64 38.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.083 1.753 . . . . 0.0 106.356 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tp -108.73 141.7 40.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 120.848 -1.157 . . . . 0.0 109.737 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 162.36 35.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.823 1.249 . . . . 0.0 109.805 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 70' ' ' CYS . 0.5 OUTLIER -95.39 158.43 15.46 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 179.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.87 92.48 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 119.619 1.099 . . . . 0.0 112.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.2 -50.14 74.85 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.206 1.003 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 67' ' ' CYS 0.273 1.7 m -61.49 -43.31 99.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 110.332 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.76 -50.66 68.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.959 1.254 . . . . 0.0 109.254 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.54 -26.89 65.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.981 1.312 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -79.22 -53.75 6.65 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.633 1.173 . . . . 0.0 109.513 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.464 0.262 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.58 -179.09 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.71 149.37 32.77 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.35 160.36 26.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.964 2.105 . . . . 0.0 108.683 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.0 t -84.85 107.27 16.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 115.519 -2.182 . . . . 0.0 105.963 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -52.68 -38.82 61.21 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 121.236 1.835 . . . . 0.0 109.378 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.12 -49.15 9.94 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 124.506 1.05 . . . . 0.0 110.674 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -109.33 -5.44 15.85 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m 57.6 47.7 15.5 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.548 1.539 . . . . 0.0 110.95 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -141.2 154.57 45.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.094 1.758 . . . . 0.0 108.292 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.08 161.56 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.801 1.641 . . . . 0.0 110.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.0 ptp -118.73 -37.33 3.28 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p 55.72 -65.54 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.644 2.377 . . . . 0.0 113.849 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.7 -161.88 2.4 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.776 2.131 . . . . 0.0 112.814 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.43 167.94 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.702 2.268 . . . . 0.0 112.415 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 33.3 p90 -138.07 159.91 40.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.739 1.615 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 tpp -107.29 141.84 38.0 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.75 129.64 59.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.05 112.69 8.88 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.12 14.71 40.67 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 116.89 -2.061 . . . . 0.0 115.848 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 105.44 -15.92 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 1 C-N-CA 132.155 4.182 . . . . 0.0 110.039 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -76.34 161.95 28.3 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.577 1.151 . . . . 0.0 108.955 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 40.4 ttmt -126.21 123.66 38.69 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.328 1.051 . . . . 0.0 110.237 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -135.01 161.2 35.97 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.059 0.943 . . . . 0.0 111.924 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -72.48 140.83 82.28 Favored Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 116.815 -1.954 . . . . 0.0 107.23 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.45 -43.82 31.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.286 2.657 . . . . 0.0 110.014 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.58 0.36 0.5 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.589 1.956 . . . . 0.0 113.641 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -132.42 -3.63 3.4 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.57 1.548 . . . . 0.0 111.398 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.38 91.08 6.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 102.437 -3.171 . . . . 0.0 102.437 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.58 155.14 49.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.567 0.747 . . . . 0.0 112.414 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 t -61.2 129.22 40.23 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.7 ttm -55.64 -47.52 76.49 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -69.89 -42.81 72.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -7.66 17.43 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 117.5 2.407 . . . . 0.0 117.5 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 62.18 5.77 1.61 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 p -65.44 138.64 22.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 120.415 1.462 . . . . 0.0 109.614 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.63 128.39 37.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -87.84 136.36 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -111.82 168.5 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.851 1.26 . . . . 0.0 108.902 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.09 -20.62 64.22 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.69 57.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 126.504 2.002 . . . . 0.0 112.823 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -87.42 -162.2 0.78 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.43 135.11 14.46 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -120.2 -178.58 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.829 1.252 . . . . 0.0 111.733 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.35 132.01 22.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.004 1.722 . . . . 0.0 106.787 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.95 117.43 32.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.097 1.359 . . . . 0.0 109.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.03 158.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -47.39 -56.59 6.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.25 1.42 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -77.68 147.22 35.59 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.43 95.15 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.07 2.148 . . . . 0.0 111.379 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -164.01 162.82 23.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.616 2.766 . . . . 0.0 106.284 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.82 128.82 23.56 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.821 1.248 . . . . 0.0 109.201 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -131.92 165.71 23.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.665 1.221 . . . . 0.0 110.495 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.85 145.3 24.49 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.76 -38.8 85.1 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -54.99 40.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.016 1.408 . . . . 0.0 111.567 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 90.4 m -74.93 -28.44 60.6 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.281 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -68.19 -27.86 66.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.187 1.358 . . . . 0.0 109.085 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.02 -33.87 58.39 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.812 0.845 . . . . 0.0 110.813 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.15 -36.03 82.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.572 1.149 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.1 t . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 125.427 1.491 . . . . 0.0 110.307 -179.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 CA-C-O 121.775 0.653 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.75 138.27 54.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -129.19 153.89 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.845 -0.534 . . . . 0.0 110.9 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.24 110.38 9.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 102.995 -2.965 . . . . 0.0 102.995 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -47.97 -42.47 27.81 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 124.528 1.142 . . . . 0.0 109.212 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -54.95 2.31 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.488 1.994 . . . . 0.0 112.17 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.372 0.7 OUTLIER -116.97 0.74 12.5 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.753 1.276 . . . . 0.0 114.207 178.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.28 -2.58 2.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.655 1.982 . . . . 0.0 114.035 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -89.97 151.09 21.86 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.426 -0.796 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.99 169.1 5.62 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 129.664 3.186 . . . . 0.0 110.455 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.93 154.65 49.04 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.398 1.479 . . . . 0.0 110.501 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -129.89 -8.59 4.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.387 1.075 . . . . 0.0 110.04 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.54 -163.01 18.62 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.832 2.158 . . . . 0.0 112.981 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -73.62 169.51 22.18 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 124.162 3.242 . . . . 0.0 111.268 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -143.51 173.7 11.41 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.209 1.003 . . . . 0.0 111.647 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.7 mtp -136.26 163.97 29.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.156 1.782 . . . . 0.0 107.054 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.23 129.48 67.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.387 0.675 . . . . 0.0 110.341 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.36 147.53 27.02 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.243 1.417 . . . . 0.0 108.764 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.46 54.52 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.249 -1.306 . . . . 0.0 112.64 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.32 11.0 pt-20 57.84 21.46 7.57 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.892 1.677 . . . . 0.0 112.275 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -111.18 -178.3 3.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.762 2.025 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 124.66 41.88 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.844 1.657 . . . . 0.0 107.748 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -138.8 169.97 16.83 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.072 0.949 . . . . 0.0 112.509 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -91.01 150.57 42.04 Favored Pre-proline 0 N--CA 1.47 0.542 0 CA-C-O 117.856 -1.069 . . . . 0.0 108.717 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.69 -38.63 48.63 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.573 2.182 . . . . 0.0 109.426 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -72.08 9.32 0.99 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.894 1.677 . . . . 0.0 112.36 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.07 15.54 2.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.606 1.162 . . . . 0.0 113.659 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -111.62 85.11 2.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.18 13.04 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.121 -0.987 . . . . 0.0 111.758 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.0 t -85.46 124.37 31.97 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 116.702 -1.618 . . . . 0.0 106.952 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.3 tpp -57.92 -54.23 49.22 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.146 1.794 . . . . 0.0 109.206 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.65 -16.51 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 130.113 3.365 . . . . 0.0 115.896 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -140.44 -11.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 113.604 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 65.59 1.94 1.89 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.82 2.848 . . . . 0.0 114.75 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.1 p -66.37 144.21 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 110.226 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -78.89 133.51 29.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.88 156.86 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -113.2 166.48 11.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.362 1.065 . . . . 0.0 109.377 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -67.26 -12.15 59.35 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.1 12.59 19.72 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.169 1.366 . . . . 0.0 111.257 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.65 165.1 11.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.315 1.058 . . . . 0.0 110.673 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.93 122.59 26.32 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 125.184 1.394 . . . . 0.0 112.21 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -142.87 166.49 24.5 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.501 1.121 . . . . 0.0 110.587 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.41 116.41 6.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.4 142.71 27.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.72 160.14 41.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 127.339 2.256 . . . . 0.0 107.455 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -51.85 171.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.031 0.933 . . . . 0.0 110.282 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 56.15 29.39 14.6 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.199 -0.938 . . . . 0.0 108.483 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 46.64 19.07 0.07 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.581 3.152 . . . . 0.0 114.226 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 125.1 25.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 tp -108.68 125.84 52.33 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.281 1.833 . . . . 0.0 110.353 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -122.92 166.82 14.42 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.462 1.105 . . . . 0.0 109.689 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.38 148.72 22.11 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.28 -41.97 24.48 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 118.698 0.681 . . . . 0.0 113.693 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.02 -59.78 2.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 122.908 1.337 . . . . 0.0 112.444 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.306 63.8 m -65.02 -13.52 58.1 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 126.548 1.939 . . . . 0.0 111.735 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -87.48 -49.81 6.96 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -52.3 -36.84 54.11 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.658 1.183 . . . . 0.0 111.263 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -55.96 -33.49 64.83 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.469 1.908 . . . . 0.0 111.826 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.454 -0.228 0 C-N-CA 124.85 1.26 . . . . 0.0 108.625 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.831 0 N-CA-C 114.315 0.486 . . . . 0.0 114.315 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -121.25 138.5 54.2 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.941 1.696 . . . . 0.0 110.239 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.18 148.89 25.22 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.21 -0.931 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 4.5 t -70.82 110.29 5.5 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -51.52 -35.14 39.23 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.499 1.5 . . . . 0.0 110.922 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.66 -33.24 48.18 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.291 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -131.4 -5.02 3.78 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 m 62.57 25.78 15.33 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.171 1.351 . . . . 0.0 112.991 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 mt -111.81 146.74 37.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.899 1.28 . . . . 0.0 108.25 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.7 159.99 32.48 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.136 1.374 . . . . 0.0 112.036 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -123.32 146.52 47.85 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.611 1.164 . . . . 0.0 110.982 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.26 62.28 1.66 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 127.335 2.254 . . . . 0.0 106.029 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.7 170.21 26.09 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.359 0.98 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.27 169.46 15.31 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 124.722 3.615 . . . . 0.0 113.125 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.98 173.05 12.22 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.944 1.698 . . . . 0.0 110.111 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -94.56 142.32 27.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.877 1.671 . . . . 0.0 107.419 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.5 t -103.77 126.93 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 120.477 1.49 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.17 170.13 5.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.203 1.401 . . . . 0.0 110.523 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.44 32.57 30.83 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.041 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 53.54 12.6 0.39 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.586 2.355 . . . . 0.0 115.563 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.87 -148.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.801 1.182 . . . . 0.0 110.29 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -143.31 132.04 22.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.025 1.73 . . . . 0.0 106.967 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -132.16 150.24 52.2 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 123.966 0.906 . . . . 0.0 109.477 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 26.4 m170 -66.71 150.52 97.49 Favored Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 116.705 -1.998 . . . . 0.0 109.597 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.23 -40.27 83.85 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.907 3.071 . . . . 0.0 112.326 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.24 -4.19 46.54 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.031 -1.043 . . . . 0.0 113.454 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.11 11.15 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.722 1.209 . . . . 0.0 112.96 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -105.81 87.33 2.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.85 168.09 24.72 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.7 t -66.73 123.77 21.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -35.65 63.98 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -11.42 55.36 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.596 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -136.05 -10.0 2.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.886 1.675 . . . . 0.0 114.792 -178.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.266 0.5 OUTLIER 62.88 3.48 1.22 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.796 2.038 . . . . 0.0 115.287 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.3 p -66.64 134.31 30.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.25 142.92 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -103.55 106.86 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.98 159.46 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.02 0.528 . . . . 0.0 111.194 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.59 70.54 4.96 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.502 1.144 . . . . 0.0 107.948 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 -31.62 0.07 OUTLIER Glycine 0 CA--C 1.527 0.827 0 C-N-CA 128.136 2.779 . . . . 0.0 109.996 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.56 137.76 41.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.088 0.944 . . . . 0.0 108.87 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.46 139.63 53.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.794 1.637 . . . . 0.0 111.201 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.99 -177.31 4.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.884 1.673 . . . . 0.0 109.521 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.43 146.4 29.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 127.708 2.403 . . . . 0.0 105.954 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.59 121.39 42.45 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.95 158.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.568 1.147 . . . . 0.0 108.002 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -50.16 -35.1 24.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.931 1.292 . . . . 0.0 113.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.77 150.74 20.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.719 0.808 . . . . 0.0 109.713 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.1 68.53 0.12 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.862 1.665 . . . . 0.0 113.824 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -153.14 141.02 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.65 146.59 33.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.04 0.936 . . . . 0.0 111.314 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -130.6 162.91 28.29 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.097 1.359 . . . . 0.0 108.392 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -93.07 154.27 18.21 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 178.433 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.5 -47.27 44.96 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.65 0.659 . . . . 0.0 112.983 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.23 -52.93 60.2 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.96 1.38 . . . . 0.0 110.34 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.52 -33.89 73.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.631 1.173 . . . . 0.0 112.44 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -68.89 -18.17 64.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.398 1.454 . . . . 0.0 110.434 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -89.13 -30.47 18.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.79 -26.86 66.31 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.914 -1.116 . . . . 0.0 111.245 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.468 0.439 0 O-C-N 121.151 -0.968 . . . . 0.0 112.011 179.556 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.526 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -137.18 153.24 50.49 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 118.369 1.084 . . . . 0.0 111.523 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -169.34 167.73 9.96 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.868 2.467 . . . . 0.0 106.201 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.8 96.18 0.2 Allowed Glycine 0 N--CA 1.452 -0.267 0 N-CA-C 107.201 -2.36 . . . . 0.0 107.201 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -135.4 143.96 46.3 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -141.15 -168.63 2.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.852 0.861 . . . . 0.0 111.721 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.87 91.73 2.03 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -153.87 105.66 2.78 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -64.69 136.17 56.67 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 122.474 1.131 . . . . 0.0 111.473 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -87.17 -49.48 7.26 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 127.019 2.127 . . . . 0.0 106.577 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -76.86 -175.18 3.37 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.79 1.636 . . . . 0.0 108.161 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.48 79.79 0.1 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 124.291 0.948 . . . . 0.0 111.452 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -138.22 85.85 2.12 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -138.32 -50.11 0.56 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 127.968 2.507 . . . . 0.0 108.373 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.69 -159.11 20.5 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 125.718 1.628 . . . . 0.0 109.167 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -123.47 139.31 54.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 122.527 1.156 . . . . 0.0 108.5 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.13 144.07 51.09 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.288 -1.324 . . . . 0.0 108.825 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 8.6 t -65.17 121.08 13.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -45.51 -47.21 14.21 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.023 0.829 . . . . 0.0 110.776 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -30.84 76.97 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 117.942 -1.477 . . . . 0.0 116.024 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 16.4 p -118.54 -9.59 10.26 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 120.863 2.332 . . . . 0.0 115.228 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 t 63.94 2.76 1.45 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.624 1.97 . . . . 0.0 111.586 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.7 mt -82.69 142.12 31.92 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 120.452 1.478 . . . . 0.0 108.013 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.97 140.27 58.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 127.393 2.277 . . . . 0.0 109.249 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -115.72 168.11 10.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.862 0.865 . . . . 0.0 109.01 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.7 p -143.87 -37.36 0.33 Allowed 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.87 -153.22 12.68 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 126.138 1.828 . . . . 0.0 111.425 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -67.21 159.63 51.29 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.035 1.824 . . . . 0.0 109.936 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -149.78 172.94 14.31 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.379 1.472 . . . . 0.0 108.687 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 86.3 mtp -122.53 146.52 47.33 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.1 t -129.54 128.68 66.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.95 157.91 10.19 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 127.574 2.349 . . . . 0.0 107.923 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.31 31.94 35.94 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 117.764 -1.575 . . . . 0.0 113.506 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.316 13.5 pt-20 55.31 22.49 4.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.63 1.972 . . . . 0.0 114.579 -178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -115.92 -173.88 2.43 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.24 1.416 . . . . 0.0 108.037 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -140.83 139.85 34.57 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 125.204 1.401 . . . . 0.0 107.426 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -146.23 155.55 42.76 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -65.45 154.82 87.02 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -66.03 -5.3 11.9 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.933 3.088 . . . . 0.0 113.365 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . 0.293 73.8 mt-10 -108.73 -2.3 18.71 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 128.735 2.814 . . . . 0.0 113.159 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.272 58.6 m -123.08 15.76 9.92 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -103.73 92.87 4.62 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 100.576 -3.861 . . . . 0.0 100.576 177.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.67 161.7 35.78 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.409 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.1 t -63.79 124.34 21.22 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.3 -59.76 3.41 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.747 0.654 . . . . 0.0 112.53 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -50.02 72.58 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -93.89 -13.44 27.18 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 -176.346 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp 69.48 8.24 6.66 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.881 2.549 . . . . 0.0 117.881 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG12 ' SG ' ' A' ' 47' ' ' CYS . 12.3 p -64.89 136.74 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -79.87 131.67 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.4 mt -95.32 140.52 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 104.343 -2.466 . . . . 0.0 104.343 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -111.96 169.62 8.72 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.664 1.585 . . . . 0.0 108.848 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.27 77.26 0.15 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.203 1.801 . . . . 0.0 112.68 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.66 -27.8 1.32 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 118.544 -1.142 . . . . 0.0 111.483 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -70.09 130.7 42.82 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 119.502 1.651 . . . . 0.0 109.388 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.69 103.42 0.1 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.639 2.376 . . . . 0.0 115.153 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -94.43 169.97 9.82 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.72 141.55 30.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.3 mt -114.72 156.12 25.4 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.809 1.244 . . . . 0.0 110.757 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.31 158.53 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 125.85 1.66 . . . . 0.0 108.56 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -63.28 -14.33 48.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.513 1.525 . . . . 0.0 111.192 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -116.16 174.3 6.12 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.317 2.247 . . . . 0.0 107.432 178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.2 84.43 0.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.878 0.871 . . . . 0.0 109.104 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 154.35 27.69 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.344 -1.473 . . . . 0.0 107.525 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.0 tp -141.73 135.22 29.57 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 124.183 0.993 . . . . 0.0 108.338 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -131.47 173.93 10.59 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.128 0.971 . . . . 0.0 109.729 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.54 150.58 20.33 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.15 -38.15 88.72 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 120.505 1.502 . . . . 0.0 112.756 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -61.25 -42.46 98.67 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.241 -1.152 . . . . 0.0 113.271 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.53 -30.02 15.22 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.266 1.826 . . . . 0.0 114.967 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -64.45 -14.11 55.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.651 1.569 . . . . 0.0 108.932 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -50.34 -34.43 23.83 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 129.141 2.977 . . . . 0.0 109.59 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -73.44 -32.7 64.52 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.762 0.825 . . . . 0.0 112.392 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.54 -19.43 15.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 125.226 1.411 . . . . 0.0 110.969 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.94 -37.98 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.707 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.5 m 55.16 13.67 0.87 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -26.78 -73.18 0.03 OUTLIER Glycine 0 CA--C 1.533 1.176 0 C-N-CA 127.012 2.244 . . . . 0.0 117.7 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -82.26 14.81 2.15 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 124.845 3.696 . . . . 0.0 114.594 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 t -104.64 176.85 5.02 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.203 1.401 . . . . 0.0 109.402 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 p -83.98 -78.62 0.23 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 124.073 0.949 . . . . 0.0 110.502 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -178.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.67 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.0 p 40.21 78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 126.643 1.977 . . . . 0.0 113.988 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 p -156.61 168.21 28.09 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.477 0.711 . . . . 0.0 109.436 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.54 160.04 22.55 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 126.315 1.912 . . . . 0.0 108.911 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t -154.81 160.95 41.61 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 118.027 0.913 . . . . 0.0 110.678 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 p -82.77 -29.2 29.81 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.837 2.055 . . . . 0.0 108.445 177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.59 -172.36 42.62 Favored Glycine 0 C--N 1.341 0.814 0 C-N-CA 125.246 1.403 . . . . 0.0 111.39 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -65.59 165.41 12.41 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 124.675 1.19 . . . . 0.0 108.776 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.46 160.7 15.76 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.375 0.607 . . . . 0.0 111.76 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.82 50.57 0.74 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-O 123.109 1.433 . . . . 0.0 113.275 -178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -120.49 -170.32 1.97 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.886 -1.506 . . . . 0.0 110.63 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.19 -19.88 0.13 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.486 1.041 . . . . 0.0 111.679 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -81.44 98.01 8.04 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -77.61 76.94 4.14 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.707 0.803 . . . . 0.0 110.165 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.97 -177.44 14.94 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 124.951 1.262 . . . . 0.0 111.182 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -85.9 140.95 29.93 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 125.506 1.522 . . . . 0.0 109.47 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -129.1 155.8 44.89 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 126.585 1.954 . . . . 0.0 112.157 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.556 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 14.4 t -76.33 102.91 6.09 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -49.19 -41.45 36.9 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.941 1.246 . . . . 0.0 109.942 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.05 -31.65 40.81 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 118.305 -1.275 . . . . 0.0 113.983 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 p -122.81 -9.33 8.35 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.428 1.614 . . . . 0.0 114.119 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m 67.14 32.69 6.0 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.163 0.985 . . . . 0.0 111.37 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.8 mt -127.03 143.65 51.23 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.552 -1.342 . . . . 0.0 110.703 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.0 tp -66.81 139.09 57.76 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 129.37 3.068 . . . . 0.0 110.754 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.19 13.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.976 0.807 . . . . 0.0 108.999 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.0 p -134.91 8.93 3.54 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.841 1.656 . . . . 0.0 110.252 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.65 -168.65 11.92 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 127.757 2.598 . . . . 0.0 108.642 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -65.69 163.19 31.3 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 121.949 1.766 . . . . 0.0 111.433 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -132.76 173.85 10.93 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.88 2.072 . . . . 0.0 109.241 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.52 134.57 54.69 Favored 'General case' 0 C--O 1.239 0.546 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -111.96 128.94 68.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.79 135.17 15.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 C-N-CA 123.567 0.747 . . . . 0.0 109.006 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.12 24.18 34.92 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-O 119.101 -0.833 . . . . 0.0 113.269 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 82.21 -0.96 1.44 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.601 3.16 . . . . 0.0 112.14 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -90.79 173.7 7.86 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 125.329 1.452 . . . . 0.0 109.733 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -133.78 122.9 23.96 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.549 0.739 . . . . 0.0 110.031 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -140.8 149.95 42.7 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.221 0.609 . . . . 0.0 111.534 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 28.3 m170 -70.65 147.85 94.76 Favored Pre-proline 0 N--CA 1.471 0.576 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 176.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.25 -36.08 92.63 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 CA-C-N 121.658 1.628 . . . . 0.0 112.447 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.19 -13.03 45.97 Favored 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.452 -1.405 . . . . 0.0 112.611 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.39 -8.38 21.2 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 128.272 2.629 . . . . 0.0 112.172 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -96.77 86.6 4.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 102.782 -3.044 . . . . 0.0 102.782 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.49 160.16 39.91 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 124.15 0.98 . . . . 0.0 111.348 -177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 45.1 t -68.12 123.57 21.04 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 104.033 -2.581 . . . . 0.0 104.033 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 35.7 ttp -54.46 -31.08 54.89 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.02 1.282 . . . . 0.0 113.835 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -86.26 -59.31 2.32 Favored 'General case' 0 N--CA 1.446 -0.635 0 C-N-CA 122.521 0.329 . . . . 0.0 111.711 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.582 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.1 p -81.63 -10.86 59.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 116.787 2.143 . . . . 0.0 116.787 -176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.38 -1.62 1.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.038 2.135 . . . . 0.0 115.008 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.1 p -64.52 139.62 21.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.25 141.49 16.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 mm -95.76 163.67 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 105.215 -2.143 . . . . 0.0 105.215 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' ' HB3' ' A' ' 55' ' ' ASP . 12.9 mt-10 -132.63 165.66 23.94 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 124.746 1.218 . . . . 0.0 109.845 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.63 -13.35 62.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.498 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -114.98 17.26 17.59 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 127.255 2.36 . . . . 0.0 111.112 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' HB3' ' H ' ' A' ' 52' ' ' GLU . 19.2 t0 -113.87 157.16 22.72 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.569 1.685 . . . . 0.0 109.408 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.85 127.39 33.44 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.642 0.777 . . . . 0.0 110.12 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -137.41 156.96 47.57 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.461 1.104 . . . . 0.0 108.563 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.12 128.37 20.98 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.72 156.41 17.06 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.18 157.99 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -55.98 -34.19 65.52 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.528 1.131 . . . . 0.0 109.962 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -88.57 178.86 6.4 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.425 1.49 . . . . 0.0 109.725 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 81.44 2.06 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.7 m -158.49 141.01 14.35 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.155 1.382 . . . . 0.0 109.792 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -129.11 119.06 23.49 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 126.912 2.085 . . . . 0.0 105.899 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -112.24 167.71 10.2 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.002 1.321 . . . . 0.0 108.848 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.38 155.13 17.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.92 -42.71 96.89 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-N 119.406 1.003 . . . . 0.0 110.668 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.49 -23.44 64.52 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.721 0.808 . . . . 0.0 111.688 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -93.15 -49.7 5.86 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 126.571 1.949 . . . . 0.0 111.352 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -58.76 -22.1 57.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 120.158 1.345 . . . . 0.0 110.123 177.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -62.26 -18.6 61.67 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.782 2.033 . . . . 0.0 110.667 176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -89.9 -15.69 31.57 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 127.302 2.241 . . . . 0.0 111.681 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -28.34 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 121.019 -1.051 . . . . 0.0 110.914 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -57.89 -21.69 17.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.82 2.048 . . . . 0.0 112.832 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.7 t -62.8 -29.49 70.75 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.472 1.109 . . . . 0.0 111.285 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.56 62.33 0.19 Allowed Glycine 0 C--N 1.339 0.747 0 CA-C-N 118.954 0.797 . . . . 0.0 113.128 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -69.78 178.91 4.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 124.241 3.294 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 m -121.38 -165.67 1.27 Allowed 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.887 1.275 . . . . 0.0 109.631 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 t -138.55 -170.99 2.95 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 126.329 1.852 . . . . 0.0 107.725 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.24 0 N-CA-C 104.888 -3.285 . . . . 0.0 104.888 178.698 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.722 0 N-CA-C 109.875 -1.29 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.12 -174.81 5.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 119.483 1.642 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -125.1 -177.72 3.95 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 126.068 1.747 . . . . 0.0 110.261 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.5 149.89 7.89 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 127.569 2.509 . . . . 0.0 108.269 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -163.29 163.22 25.39 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.067 1.347 . . . . 0.0 108.937 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -140.2 -177.58 5.08 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.375 2.27 . . . . 0.0 108.726 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.04 25.48 8.38 Favored Glycine 0 CA--C 1.529 0.947 0 C-N-CA 125.97 1.748 . . . . 0.0 112.28 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -88.84 78.19 7.64 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -79.85 87.2 5.32 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.771 1.229 . . . . 0.0 111.159 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -156.42 164.24 38.5 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 119.088 0.858 . . . . 0.0 110.764 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -84.98 102.41 13.15 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 126.363 1.865 . . . . 0.0 107.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.35 83.64 0.18 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 107.239 -2.344 . . . . 0.0 107.239 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -128.1 -1.87 5.79 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.139 1.376 . . . . 0.0 113.722 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -124.03 13.42 9.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.74 1.216 . . . . 0.0 111.412 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.53 162.26 19.82 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -83.41 160.91 21.49 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 122.773 1.273 . . . . 0.0 111.073 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -128.44 138.64 52.41 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.614 1.566 . . . . 0.0 109.777 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.4 t -76.82 106.33 8.42 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -55.42 -45.83 76.71 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -42.78 -65.59 1.34 Allowed Glycine 0 C--N 1.341 0.816 0 C-N-CA 125.482 1.515 . . . . 0.0 110.779 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 31.5 p -82.44 -13.04 57.43 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 t 69.36 39.17 1.69 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.307 1.443 . . . . 0.0 109.03 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 mt -138.25 146.16 42.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.87 1.268 . . . . 0.0 110.592 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.32 135.12 57.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.462 3.105 . . . . 0.0 112.827 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.6 ptp -91.6 155.75 18.13 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.157 0.889 . . . . 0.0 108.704 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 p -131.53 -56.54 1.01 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 123.781 0.832 . . . . 0.0 111.487 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.78 -153.78 8.56 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.803 1.192 . . . . 0.0 110.85 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -68.09 169.48 16.5 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.206 1.938 . . . . 0.0 110.17 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 43.4 p90 -140.71 173.73 11.21 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 126.709 2.004 . . . . 0.0 109.104 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.94 155.91 43.49 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -130.36 130.89 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 125.54 1.536 . . . . 0.0 111.622 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -153.36 143.92 22.57 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 128.45 2.7 . . . . 0.0 105.49 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.0 13.04 6.07 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-O 117.667 -1.63 . . . . 0.0 115.299 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 84.04 6.67 0.64 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 128.751 2.82 . . . . 0.0 113.272 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -91.59 -175.72 4.28 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.05 1.34 . . . . 0.0 110.552 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -137.56 134.61 35.83 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 125.844 1.658 . . . . 0.0 106.733 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -148.55 158.15 43.94 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.619 1.1 . . . . 0.0 110.85 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -67.89 150.69 97.68 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 115.874 -2.33 . . . . 0.0 106.281 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 29' ' ' PHE . 44.3 Cg_endo -65.77 -40.22 17.86 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.863 2.375 . . . . 0.0 113.493 -178.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -3.44 9.21 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.534 1.061 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.03 -2.63 27.21 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 123.906 0.882 . . . . 0.0 112.249 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -85.3 87.35 7.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 101.639 -3.467 . . . . 0.0 101.639 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -148.2 158.81 44.29 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.468 1.107 . . . . 0.0 111.786 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.6 t -74.15 123.7 24.95 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 177.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 ptm -60.69 -40.24 91.47 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 122.2 2.273 . . . . 0.0 112.893 -179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -39.18 89.61 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 126.794 2.038 . . . . 0.0 115.779 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.4 p -112.25 -9.62 13.89 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 63.24 1.68 0.97 Allowed 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 128.452 2.701 . . . . 0.0 116.001 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.571 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.3 p -69.5 140.3 18.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 119.841 1.2 . . . . 0.0 109.483 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.16 144.93 12.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 N-CA-C 105.296 -2.112 . . . . 0.0 105.296 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.0 mt -106.35 139.48 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.66 169.43 8.64 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -57.18 -24.49 54.8 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.367 1.467 . . . . 0.0 113.022 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.31 -14.37 38.85 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.251 1.882 . . . . 0.0 114.95 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.86 168.18 15.31 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.92 2.36 . . . . 0.0 112.516 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.68 99.0 11.75 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.403 1.481 . . . . 0.0 113.549 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -87.91 174.15 8.5 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 123.524 0.73 . . . . 0.0 109.23 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.51 124.69 6.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -110.09 156.6 20.34 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.989 1.316 . . . . 0.0 107.547 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -125.71 159.74 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 126.168 1.787 . . . . 0.0 107.086 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -45.03 -48.33 11.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.077 1.751 . . . . 0.0 110.646 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.5 p80 -79.85 158.94 26.63 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.192 1.397 . . . . 0.0 109.101 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.66 76.1 0.19 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 124.608 1.163 . . . . 0.0 112.17 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.8 m -149.86 142.64 24.68 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.793 -1.192 . . . . 0.0 108.067 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 tp -124.89 139.1 54.14 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.912 1.285 . . . . 0.0 111.592 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -137.0 171.37 14.61 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.119 1.768 . . . . 0.0 111.462 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -94.56 158.05 15.71 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.3 -44.09 93.51 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.317 0.962 . . . . 0.0 112.847 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -61.01 -40.14 92.43 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.96 1.38 . . . . 0.0 112.073 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -68.42 -46.06 70.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 109.545 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -60.29 -37.87 81.83 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.823 0.738 . . . . 0.0 110.807 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -57.77 -24.04 55.22 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.231 1.412 . . . . 0.0 112.105 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -100.11 -25.11 14.4 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.703 0.801 . . . . 0.0 110.972 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.8 t -66.93 -34.98 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 O-C-N 121.218 -0.927 . . . . 0.0 110.323 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.1 m -60.83 -14.96 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 118.399 0.545 . . . . 0.0 111.772 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.4 t -77.4 91.99 3.92 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.721 -1.955 . . . . 0.0 105.721 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -117.04 83.13 0.34 Allowed Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 108.819 -1.712 . . . . 0.0 108.819 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -64.95 107.92 1.01 Allowed 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.598 2.199 . . . . 0.0 107.41 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.74 162.19 13.79 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.337 1.055 . . . . 0.0 110.344 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 t -163.61 -56.56 0.04 OUTLIER 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.664 -0.647 . . . . 0.0 109.705 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.913 0 N-CA-C 105.716 -2.954 . . . . 0.0 105.716 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -139.28 168.3 20.13 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.28 1.032 . . . . 0.0 108.237 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -160.54 179.1 8.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.323 1.449 . . . . 0.0 107.359 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.4 168.3 41.16 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -164.86 166.27 19.77 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.771 1.628 . . . . 0.0 108.014 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -164.67 169.95 16.26 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 124.296 1.039 . . . . 0.0 108.847 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.72 167.08 26.03 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 127.837 2.637 . . . . 0.0 107.439 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.77 164.81 36.67 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.046 0.923 . . . . 0.0 110.119 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.74 96.84 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 125.461 1.505 . . . . 0.0 107.807 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.82 -55.67 24.27 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -77.44 168.33 20.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.11 1.764 . . . . 0.0 108.485 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.28 -148.45 6.77 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -48.73 -39.71 25.84 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 126.379 1.871 . . . . 0.0 112.496 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 50.87 24.32 1.74 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.274 1.43 . . . . 0.0 112.763 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.69 -159.65 30.78 Favored Glycine 0 N--CA 1.44 -1.09 0 CA-C-O 122.027 0.793 . . . . 0.0 113.466 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -85.15 137.36 33.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.746 1.618 . . . . 0.0 111.548 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.68 154.98 45.75 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 127.209 2.204 . . . . 0.0 107.069 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.0 t -65.6 113.36 4.16 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -64.5 21.95 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.85 2.46 . . . . 0.0 114.806 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.93 -47.51 0.18 Allowed Glycine 0 CA--C 1.526 0.726 0 C-N-CA 127.331 2.396 . . . . 0.0 108.08 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.8 p -104.7 -6.32 20.5 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m 62.54 30.98 17.15 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 120.033 1.288 . . . . 0.0 112.843 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -121.89 144.79 48.64 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.031 1.333 . . . . 0.0 107.539 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 tp -54.53 157.99 2.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 128.498 2.719 . . . . 0.0 112.539 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 ptp -112.55 151.4 30.06 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 126.075 1.75 . . . . 0.0 108.55 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.3 p -127.36 -70.68 0.7 Allowed 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.75 -169.74 15.01 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 125.257 1.408 . . . . 0.0 110.13 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -63.2 165.64 16.63 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.117 1.878 . . . . 0.0 112.107 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -128.94 156.63 43.44 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.262 1.425 . . . . 0.0 108.7 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.51 123.85 36.12 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -103.57 129.63 55.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.382 1.473 . . . . 0.0 107.148 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.78 134.35 15.44 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.75 32.08 39.5 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.98 -0.9 . . . . 0.0 112.492 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 76.52 -1.83 2.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.996 2.118 . . . . 0.0 113.126 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -85.23 -176.51 6.18 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.329 1.422 . . . . 0.0 111.642 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -145.76 132.7 20.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.422 1.489 . . . . 0.0 108.446 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -150.6 156.72 41.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.659 1.583 . . . . 0.0 108.646 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 33.7 m170 -71.36 148.17 93.35 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 116.918 -1.913 . . . . 0.0 106.074 177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.83 -46.7 27.53 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.362 2.708 . . . . 0.0 111.923 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.61 -3.51 1.08 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.136 0.974 . . . . 0.0 113.343 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.1 m -129.9 20.36 5.47 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.532 1.533 . . . . 0.0 112.77 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -120.91 88.95 3.03 Favored 'General case' 0 N--CA 1.448 -0.57 1 N-CA-C 98.508 -4.627 . . . . 0.0 98.508 176.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.32 159.59 42.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.87 0.868 . . . . 0.0 112.379 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.52 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.5 t -63.7 124.71 22.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.492 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 47.8 tpp -51.46 -46.18 62.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.676 1.125 . . . . 0.0 110.609 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -60.75 -20.42 61.27 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 118.688 2.847 . . . . 0.0 118.688 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.672 ' SG ' HG12 ' A' ' 49' ' ' VAL . 17.8 p -142.43 -8.37 0.87 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? 62.16 9.95 3.46 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.346 1.858 . . . . 0.0 114.122 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.8 p -76.0 138.55 20.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.6 mm -58.5 151.03 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.23 0.956 . . . . 0.0 110.652 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -124.09 104.85 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 103.938 -2.616 . . . . 0.0 103.938 178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -80.37 177.27 9.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.868 0.842 . . . . 0.0 110.577 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.24 3.81 0.25 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.243 1.817 . . . . 0.0 114.254 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.07 -0.98 2.38 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.478 1.513 . . . . 0.0 113.921 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.83 161.62 30.64 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 119.257 1.528 . . . . 0.0 113.671 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.84 109.71 15.66 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 105.775 -1.935 . . . . 0.0 105.775 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -135.7 171.09 14.96 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.38 145.0 27.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.17 1.788 . . . . 0.0 109.755 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.6 mt -118.65 102.91 9.21 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.96 136.08 25.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 C-N-CA 124.328 1.051 . . . . 0.0 108.412 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 43.61 33.36 0.66 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.735 2.414 . . . . 0.0 113.341 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 p80 38.99 39.91 0.41 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.859 2.064 . . . . 0.0 112.626 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.61 -16.55 0.32 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.4 m -133.58 144.07 49.07 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.924 1.238 . . . . 0.0 110.138 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.6 tp -108.99 137.76 46.4 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.828 1.251 . . . . 0.0 111.561 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -136.02 161.38 35.84 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.762 1.225 . . . . 0.0 112.14 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.6 OUTLIER -93.97 156.72 16.46 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.462 -2.051 . . . . 0.0 105.462 179.023 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.84 -44.61 92.08 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.16 0.891 . . . . 0.0 112.195 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -58.79 -36.85 75.12 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 118.64 1.22 . . . . 0.0 111.994 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -77.46 -49.21 15.28 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.411 1.484 . . . . 0.0 110.378 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -56.87 -35.43 68.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.594 0.633 . . . . 0.0 110.717 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -60.15 -32.89 71.46 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.867 1.667 . . . . 0.0 112.057 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.38 -32.05 73.5 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.024 1.33 . . . . 0.0 112.193 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.5 t -78.72 -51.79 16.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.922 0.889 . . . . 0.0 109.029 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.53 -33.51 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 121.581 -0.699 . . . . 0.0 110.929 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.1 m -89.49 49.06 1.68 Allowed 'General case' 0 C--O 1.235 0.339 0 O-C-N 121.119 -0.988 . . . . 0.0 108.633 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.01 79.58 0.04 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -63.14 -8.11 13.46 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 123.316 2.677 . . . . 0.0 114.414 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -135.44 103.37 5.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 105.521 -2.029 . . . . 0.0 105.521 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.0 m -78.12 -171.47 2.36 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.799 0.84 . . . . 0.0 110.325 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 179.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.736 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -68.13 156.9 36.5 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 118.254 1.027 . . . . 0.0 111.825 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -82.36 132.4 35.22 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.787 0.835 . . . . 0.0 109.473 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.6 139.73 1.28 Allowed Glycine 0 CA--C 1.525 0.669 0 C-N-CA 124.488 1.042 . . . . 0.0 111.85 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -71.5 34.56 0.05 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.062 1.745 . . . . 0.0 113.969 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m 59.75 14.36 4.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.645 . . . . 0.0 113.609 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.49 176.44 19.43 Favored Glycine 0 CA--C 1.523 0.593 0 C-N-CA 128.379 2.895 . . . . 0.0 106.933 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -88.31 -32.15 18.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 104.912 -2.255 . . . . 0.0 104.912 176.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.0 168.47 10.22 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.49 2.716 . . . . 0.0 106.925 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.14 -20.35 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.995 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -80.39 11.54 3.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.286 2.234 . . . . 0.0 114.365 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.53 -8.11 66.14 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 120.759 3.064 . . . . 0.0 120.759 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -154.31 126.88 8.04 Favored 'General case' 0 N--CA 1.479 1.02 1 CA-C-N 124.49 4.145 . . . . 0.0 114.993 -179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -95.56 81.28 3.52 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 126.237 1.815 . . . . 0.0 107.899 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -141.47 -178.97 18.23 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.517 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -95.94 108.89 21.32 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 125.516 1.527 . . . . 0.0 109.424 -179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -119.03 150.75 39.43 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.431 1.093 . . . . 0.0 108.626 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.452 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 34.5 t -75.47 110.29 9.72 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 104.728 -2.323 . . . . 0.0 104.728 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -46.68 -45.72 19.56 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.386 0.994 . . . . 0.0 112.197 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.12 -47.23 33.45 Favored Glycine 0 CA--C 1.527 0.8 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.136 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -101.22 -16.1 17.11 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 t 75.88 8.21 3.61 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.685 1.594 . . . . 0.0 110.856 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -106.06 150.63 25.59 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.595 1.558 . . . . 0.0 111.517 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 tp -68.62 168.73 12.46 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 129.325 3.05 . . . . 0.0 113.103 -178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.82 164.39 30.22 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 126.561 1.944 . . . . 0.0 107.89 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.6 p -125.66 -50.25 1.62 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.388 1.075 . . . . 0.0 108.537 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.2 -157.39 6.12 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 126.296 1.903 . . . . 0.0 111.63 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -68.81 169.11 18.4 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.546 2.164 . . . . 0.0 112.765 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 8.5 p90 -147.53 172.68 13.61 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 127.007 2.123 . . . . 0.0 108.536 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.479 ' HG2' ' CD2' ' A' ' 42' ' ' PHE . 48.2 tpp -118.29 147.19 43.7 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 97.9 t -133.79 138.5 50.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 125.949 1.699 . . . . 0.0 109.352 -178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.99 143.74 9.51 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 126.633 1.973 . . . . 0.0 105.805 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.44 25.39 34.11 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 118.931 -0.927 . . . . 0.0 113.578 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 75.68 6.22 3.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.298 2.239 . . . . 0.0 111.915 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -88.13 174.3 8.33 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.642 -1.286 . . . . 0.0 112.099 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE3' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -135.6 122.75 21.57 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.705 -1.247 . . . . 0.0 108.213 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -139.03 156.17 47.41 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 24.3 m170 -71.27 155.14 93.33 Favored Pre-proline 0 N--CA 1.471 0.586 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.908 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -68.88 -15.81 40.69 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.305 2.67 . . . . 0.0 112.549 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -98.92 8.86 44.56 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.602 1.161 . . . . 0.0 111.066 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.8 m -133.5 -18.66 2.18 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.479 ' CD2' ' HG2' ' A' ' 30' ' ' MET . 69.0 t80 -73.78 99.87 3.28 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.18 21.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 50.7 t -65.67 123.56 20.04 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.74 -34.31 74.22 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.525 1.966 . . . . 0.0 113.222 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -73.91 -24.8 59.74 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.742 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -124.4 -11.37 7.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -177.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.1 mptt 66.57 4.24 3.25 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 127.047 2.139 . . . . 0.0 114.777 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.742 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.7 p -76.94 136.91 23.52 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 121.48 1.946 . . . . 0.0 107.487 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 34.4 mm -59.89 147.54 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 124.623 1.202 . . . . 0.0 108.975 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.8 mt -109.26 97.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 102.706 -3.072 . . . . 0.0 102.706 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.74 160.84 24.88 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 125.451 1.501 . . . . 0.0 111.324 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -68.36 106.17 2.41 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.48 -17.29 6.17 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 125.908 1.718 . . . . 0.0 112.091 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.67 -174.5 3.92 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 118.702 1.251 . . . . 0.0 108.238 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.9 111.62 14.36 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 119.924 -1.735 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -84.37 -172.43 4.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 108.846 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.89 109.55 5.2 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 103.093 -2.929 . . . . 0.0 103.093 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.96 108.72 21.49 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -93.07 157.48 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 125.898 1.679 . . . . 0.0 107.125 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.61 -33.23 71.22 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.355 -0.841 . . . . 0.0 110.107 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -79.09 150.27 31.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.43 59.4 1.44 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.688 0.795 . . . . 0.0 110.779 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.7 m -140.17 118.66 12.22 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 128.739 2.816 . . . . 0.0 103.484 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.75 152.53 24.73 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.924 0.89 . . . . 0.0 111.825 -178.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.54 173.9 11.17 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.098 0.559 . . . . 0.0 111.59 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.44 147.7 22.72 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 102.026 -3.324 . . . . 0.0 102.026 177.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.35 74.94 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.297 0.953 . . . . 0.0 112.719 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -64.03 -32.14 73.58 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.994 1.397 . . . . 0.0 112.37 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.76 -40.68 20.16 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.098 0.959 . . . . 0.0 109.088 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -66.38 -21.17 66.23 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.156 0.889 . . . . 0.0 109.296 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.45 -36.49 80.54 Favored 'General case' 0 C--O 1.224 -0.288 0 O-C-N 121.128 -0.983 . . . . 0.0 108.853 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -74.29 -33.22 63.17 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.441 0.696 . . . . 0.0 110.223 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.57 -48.17 89.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.6 m -73.14 -28.74 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 118.103 0.411 . . . . 0.0 110.561 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -87.19 51.6 2.28 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.95 -174.12 27.85 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.21 1.862 . . . . 0.0 109.737 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -74.98 -166.29 0.34 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.926 3.084 . . . . 0.0 109.703 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -67.58 175.66 2.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.454 -0.778 . . . . 0.0 110.685 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -64.25 164.47 11.01 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.262 -0.899 . . . . 0.0 110.34 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 0 N-CA-C 107.496 -2.241 . . . . 0.0 107.496 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 t 58.14 37.33 26.34 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.473 1.109 . . . . 0.0 110.568 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.74 166.12 11.5 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.91 -165.0 11.17 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -121.3 155.2 35.21 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 122.321 1.058 . . . . 0.0 111.152 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.71 175.83 10.17 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 128.563 2.745 . . . . 0.0 106.452 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.26 -169.97 43.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -148.4 144.68 27.64 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -128.73 110.66 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.689 0.796 . . . . 0.0 110.681 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -97.24 -32.04 12.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -69.18 176.92 2.97 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.289 1.436 . . . . 0.0 111.11 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.36 -173.69 41.33 Favored Glycine 0 CA--C 1.522 0.527 0 O-C-N 121.229 -0.92 . . . . 0.0 111.048 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -135.17 168.3 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.401 1.48 . . . . 0.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -78.48 -22.29 47.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.775 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.74 168.77 35.43 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 123.701 0.667 . . . . 0.0 111.978 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -113.72 149.73 34.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.051 0.929 . . . . 0.0 110.268 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -127.77 151.91 48.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.887 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 24.4 t -63.88 117.51 7.07 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 104.277 -2.49 . . . . 0.0 104.277 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.49 -25.58 26.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.858 1.208 . . . . 0.0 110.677 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.39 -25.37 63.59 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-O 117.271 -1.85 . . . . 0.0 113.907 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 p -131.24 0.25 4.11 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . 0.268 35.9 p 61.74 4.36 1.06 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.78 1.632 . . . . 0.0 114.1 -178.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.3 mt -94.79 149.1 21.59 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 120.517 -1.364 . . . . 0.0 108.536 178.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -67.8 159.52 30.12 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 129.291 3.036 . . . . 0.0 114.843 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.32 149.6 52.49 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.597 2.359 . . . . 0.0 105.3 176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.6 p -133.58 -18.1 2.21 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.91 -148.09 16.05 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -71.49 157.19 56.88 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 121.654 1.57 . . . . 0.0 111.206 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -150.16 153.97 37.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 127.284 2.234 . . . . 0.0 106.333 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 40.8 tpp -91.68 142.37 27.69 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -103.35 128.69 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -170.68 154.91 4.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.303 1.041 . . . . 0.0 108.459 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.79 30.04 35.18 Favored Glycine 0 C--O 1.222 -0.644 0 CA-C-O 117.241 -1.866 . . . . 0.0 114.715 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.27 23.2 pt-20 53.9 20.78 2.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.295 1.838 . . . . 0.0 114.392 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -123.6 -174.11 2.89 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 125.472 1.509 . . . . 0.0 109.237 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -128.82 130.17 46.61 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.139 0.976 . . . . 0.0 108.439 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -139.7 151.12 45.62 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 121.067 -1.02 . . . . 0.0 110.736 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 15.6 m170 -64.66 144.44 98.77 Favored Pre-proline 0 C--O 1.237 0.401 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 175.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.7 -36.54 51.61 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 CA-C-N 120.032 1.047 . . . . 0.0 112.083 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.67 2.63 7.75 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.438 1.095 . . . . 0.0 113.443 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -118.5 3.96 11.78 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.821 1.249 . . . . 0.0 110.735 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -87.26 98.11 11.15 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -154.83 158.2 39.04 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 32.0 t -63.8 124.68 22.12 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 117.533 -1.222 . . . . 0.0 107.74 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.4 mtp -56.99 -44.71 82.99 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.387 0.994 . . . . 0.0 111.065 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 m -67.18 -17.28 64.77 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.9 p -136.16 -7.89 2.04 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 50.08 65.21 1.5 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 125.268 1.427 . . . . 0.0 111.794 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -122.47 126.7 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.552 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 176.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.2 mm -66.84 124.15 21.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -83.39 148.01 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 N-CA-C 104.743 -2.317 . . . . 0.0 104.743 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -133.91 179.79 6.02 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 126.282 1.833 . . . . 0.0 108.157 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.44 43.97 0.25 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.987 1.315 . . . . 0.0 109.291 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.41 13.14 0.06 OUTLIER Glycine 0 CA--C 1.525 0.658 0 CA-C-O 117.836 -1.536 . . . . 0.0 114.359 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -132.36 130.83 41.22 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 120.65 2.225 . . . . 0.0 105.754 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.93 140.68 58.86 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.576 0.751 . . . . 0.0 112.144 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -133.39 163.24 29.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.35 24.9 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 119.66 40.08 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.3 t -97.08 120.5 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 38.27 48.66 1.19 Allowed 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 128.182 2.593 . . . . 0.0 114.026 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.9 m170 44.82 44.97 8.16 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.684 1.194 . . . . 0.0 109.844 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -147.43 -38.66 0.2 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.5 m -123.49 143.41 50.19 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 121.273 1.852 . . . . 0.0 112.322 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.1 tp -108.41 118.32 36.45 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 125.64 1.576 . . . . 0.0 112.145 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -125.51 170.72 11.15 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.562 1.145 . . . . 0.0 109.425 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.12 158.29 15.85 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 105.049 -2.204 . . . . 0.0 105.049 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.89 -44.61 94.31 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -58.37 -44.81 89.02 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.454 1.127 . . . . 0.0 110.668 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.267 1.5 m -64.47 -48.52 74.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 125.08 1.352 . . . . 0.0 110.89 179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -63.52 -28.79 70.19 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.004 0.82 . . . . 0.0 110.461 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -78.4 -30.97 48.06 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.91 1.284 . . . . 0.0 110.255 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.25 -39.53 22.9 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.059 1.343 . . . . 0.0 112.299 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.64 -17.02 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.46 -18.77 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 119.068 0.849 . . . . 0.0 110.43 179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -30.01 70.92 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.05 149.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 C-N-CA 128.996 3.189 . . . . 0.0 113.365 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -81.61 119.84 3.42 Favored 'Trans proline' 0 N--CA 1.449 -1.118 0 N-CA-C 106.051 -2.327 . . . . 0.0 106.051 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -4.78 8.68 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.2 m -65.49 142.62 58.08 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.834 0.854 . . . . 0.0 109.835 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.404 0 N-CA-C 107.429 -2.268 . . . . 0.0 107.429 179.756 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.254 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 m -107.14 160.86 15.26 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 124.613 1.165 . . . . 0.0 108.22 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -160.02 148.63 17.22 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.29 150.64 20.52 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 108.587 -1.805 . . . . 0.0 108.587 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 p -148.81 41.96 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 123.747 0.819 . . . . 0.0 109.892 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 p -56.25 128.38 35.44 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 123.053 0.541 . . . . 0.0 110.076 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.25 -156.07 9.06 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -142.02 162.6 35.08 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 103.334 -2.839 . . . . 0.0 103.334 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -66.04 106.11 1.53 Allowed 'General case' 0 C--O 1.234 0.281 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -163.61 -49.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 126.345 1.858 . . . . 0.0 109.824 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -64.64 108.1 1.6 Allowed 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.655 1.182 . . . . 0.0 112.787 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.55 -87.07 0.24 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 105.377 -3.089 . . . . 0.0 105.377 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 174.72 151.01 0.1 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 128.153 2.581 . . . . 0.0 106.906 177.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -120.81 -67.47 0.97 Allowed 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.03 -152.84 10.31 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 124.955 1.264 . . . . 0.0 112.318 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -78.45 150.73 32.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 127.637 2.375 . . . . 0.0 108.269 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.34 151.46 48.75 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.019 -1.05 . . . . 0.0 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 7.2 t -72.27 104.39 3.68 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -40.6 -58.76 1.52 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.81 2.044 . . . . 0.0 111.177 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.51 53.75 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 117.499 -1.723 . . . . 0.0 116.051 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 13.3 p -113.57 -12.88 12.82 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.708 2.254 . . . . 0.0 116.715 -179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t 65.3 47.8 2.29 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.72 1.145 . . . . 0.0 110.495 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.7 mt -136.13 148.55 48.28 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.482 1.513 . . . . 0.0 108.278 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.4 tp -64.03 156.12 29.1 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 126.35 1.86 . . . . 0.0 110.6 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -119.3 143.58 47.28 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 124.95 1.3 . . . . 0.0 108.271 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.7 p -116.29 -28.39 6.54 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.809 0.693 . . . . 0.0 109.313 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -107.61 177.2 21.2 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.236 1.398 . . . . 0.0 112.294 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.19 169.58 11.97 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 124.907 3.738 . . . . 0.0 113.229 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -149.92 173.22 14.04 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.914 1.286 . . . . 0.0 110.255 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 56.6 mtp -112.01 156.36 22.28 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.2 t -116.99 128.88 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 O-C-N 121.228 -0.92 . . . . 0.0 109.218 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.63 25.88 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 127.396 2.279 . . . . 0.0 107.307 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.64 33.99 35.02 Favored Glycine 0 C--O 1.221 -0.677 0 CA-C-O 117.368 -1.796 . . . . 0.0 114.443 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.288 2.1 pt-20 53.57 13.13 0.44 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.945 2.498 . . . . 0.0 116.616 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -122.56 168.32 12.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.442 1.474 . . . . 0.0 110.851 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -114.77 122.79 47.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.407 1.083 . . . . 0.0 110.222 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -126.99 160.59 30.63 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.528 1.131 . . . . 0.0 108.816 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 15.5 m80 -70.51 156.46 91.89 Favored Pre-proline 0 N--CA 1.473 0.714 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.522 178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.59 -6.43 16.63 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 124.188 3.259 . . . . 0.0 111.694 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -116.56 9.29 14.16 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.197 1.799 . . . . 0.0 111.336 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.7 m -143.47 40.99 1.46 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.938 1.295 . . . . 0.0 111.441 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -126.74 88.59 2.85 Favored 'General case' 0 C--N 1.324 -0.513 1 N-CA-C 98.571 -4.603 . . . . 0.0 98.571 177.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.35 163.36 33.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.5 t -63.89 123.46 19.03 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.919 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.0 ttm -57.61 -38.33 74.75 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 120.939 1.7 . . . . 0.0 112.258 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -73.77 -19.18 60.85 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.063 1.505 . . . . 0.0 115.063 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.663 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -135.67 -5.8 2.22 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 -179.019 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.78 3.49 1.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.18 2.192 . . . . 0.0 114.725 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' SG ' ' A' ' 47' ' ' CYS . 8.5 p -69.67 132.02 33.52 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 120.745 1.611 . . . . 0.0 108.474 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.2 mm -60.77 138.33 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 C-N-CA 125.857 1.663 . . . . 0.0 109.368 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -102.88 123.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 103.36 -2.829 . . . . 0.0 103.36 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -116.34 173.3 6.67 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.182 1.793 . . . . 0.0 108.447 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.97 92.62 1.29 Allowed 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.32 -25.92 1.55 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 125.36 1.457 . . . . 0.0 111.185 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -87.48 145.65 26.16 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.08 119.35 24.38 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.744 -0.598 . . . . 0.0 111.75 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -95.7 164.71 12.65 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.684 1.193 . . . . 0.0 107.915 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.9 109.43 4.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.95 135.42 34.47 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.116 0.966 . . . . 0.0 108.548 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.9 t -130.03 125.67 60.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 118.415 0.552 . . . . 0.0 109.921 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 34.35 44.65 0.11 Allowed 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 129.422 3.089 . . . . 0.0 114.004 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 26.9 p80 39.03 36.23 0.16 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.159 1.783 . . . . 0.0 113.01 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.64 -11.92 0.69 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.222 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.1 m -148.17 159.93 43.44 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.909 1.231 . . . . 0.0 108.891 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.0 tp -131.51 136.13 47.63 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 125.913 1.685 . . . . 0.0 108.224 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -133.58 175.33 9.52 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.347 1.459 . . . . 0.0 110.089 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.3 153.23 18.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.95 97.21 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.068 0.849 . . . . 0.0 112.703 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -65.63 -28.45 69.12 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 120.964 -1.315 . . . . 0.0 113.309 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.335 78.5 m -93.74 -31.67 14.32 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.126 0.97 . . . . 0.0 110.541 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -69.24 -25.66 64.4 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.8 -34.43 69.61 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.242 1.417 . . . . 0.0 110.554 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.61 -29.49 68.03 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.787 1.235 . . . . 0.0 111.048 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 -49.61 56.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 C-N-CA 125.166 1.387 . . . . 0.0 109.421 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.0 m -75.55 -15.42 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.081 0.552 . . . . 0.0 112.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.13 0.69 1.22 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.284 1.434 . . . . 0.0 114.698 -179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.1 177.25 42.22 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.75 1.167 . . . . 0.0 110.375 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -64.46 111.93 1.79 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.686 2.924 . . . . 0.0 108.157 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -71.69 -33.29 68.68 Favored 'General case' 0 C--O 1.227 -0.092 0 CA-C-O 118.353 -0.832 . . . . 0.0 113.212 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 71.6 m -76.77 169.03 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 120.024 1.284 . . . . 0.0 110.246 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 N-CA-C 109.362 -1.495 . . . . 0.0 109.362 178.526 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.613 0 N-CA-C 109.852 -1.299 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -136.83 175.71 9.37 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.731 1.612 . . . . 0.0 108.497 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -165.0 -168.96 1.55 Allowed 'General case' 0 C--O 1.243 0.713 0 C-N-CA 126.546 1.938 . . . . 0.0 106.578 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 166.44 32.75 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 127.319 2.39 . . . . 0.0 109.029 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p -139.99 164.53 29.78 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 126.07 1.748 . . . . 0.0 108.233 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -135.76 -174.15 3.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 125.719 1.607 . . . . 0.0 107.769 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.52 145.05 4.05 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -145.25 59.73 1.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.496 1.518 . . . . 0.0 108.629 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -79.29 157.2 27.78 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -150.11 -23.38 0.25 Allowed 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.499 -0.751 . . . . 0.0 112.733 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -68.34 107.53 2.88 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.03 -1.471 . . . . 0.0 107.03 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.6 143.62 14.6 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -178.49 4.13 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -83.81 7.77 16.89 Favored 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.472 -0.767 . . . . 0.0 111.562 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.94 -175.63 39.16 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-O 122.229 0.905 . . . . 0.0 111.284 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -84.03 145.13 28.66 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 123.779 0.832 . . . . 0.0 110.573 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -128.21 155.26 44.8 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 125.369 1.467 . . . . 0.0 110.627 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.6 t -71.38 109.98 5.71 Favored 'General case' 0 C--N 1.345 0.396 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -47.24 -39.34 14.03 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.663 1.185 . . . . 0.0 110.242 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.84 -34.76 78.13 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-O 116.663 -2.187 . . . . 0.0 116.037 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 15.1 p -116.2 -8.46 11.74 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 81.11 -16.12 0.67 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 120.809 1.64 . . . . 0.0 111.954 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.1 mt -82.46 144.69 30.28 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 120.957 -1.09 . . . . 0.0 109.766 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.95 163.26 27.86 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.59 2.356 . . . . 0.0 111.71 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.42 101.5 6.97 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.4 p -82.4 73.13 9.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.96 -151.52 23.15 Favored Glycine 0 CA--C 1.535 1.339 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.6 169.3 14.62 Favored 'Trans proline' 0 C--O 1.241 0.625 0 C-N-CA 123.389 2.726 . . . . 0.0 112.891 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -148.12 163.92 35.47 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 126.119 1.767 . . . . 0.0 109.798 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.4 ttt -113.65 140.78 47.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 t -122.13 129.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.72 134.84 14.9 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.016 1.726 . . . . 0.0 106.652 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.86 10.6 32.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 118.894 -0.948 . . . . 0.0 112.89 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 87.43 -9.48 0.59 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 130.155 3.382 . . . . 0.0 112.604 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -84.0 177.55 8.23 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.303 1.841 . . . . 0.0 109.814 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -137.9 129.44 28.07 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 119.171 0.896 . . . . 0.0 111.516 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -139.73 159.07 43.02 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.862 0.865 . . . . 0.0 111.668 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.422 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 21.8 m80 -68.27 149.38 98.11 Favored Pre-proline 0 N--CA 1.473 0.677 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.25 -51.39 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 123.823 3.015 . . . . 0.0 112.606 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.06 -42.64 90.8 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 122.27 1.033 . . . . 0.0 110.184 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -76.33 13.1 1.0 Allowed 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -110.31 82.05 1.53 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 101.018 -3.697 . . . . 0.0 101.018 177.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.97 167.24 20.62 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.313 1.045 . . . . 0.0 112.614 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.1 t -77.52 123.79 27.05 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.5 tpp -59.99 -49.76 76.4 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 120.395 1.452 . . . . 0.0 108.671 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -57.85 -22.85 50.03 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.57 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -137.46 -7.01 1.74 Allowed 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -178.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 71.78 -7.85 1.19 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 128.743 2.817 . . . . 0.0 115.438 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.3 p -63.27 137.95 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 120.786 1.63 . . . . 0.0 110.256 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.7 mm -70.83 147.36 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.833 1.653 . . . . 0.0 106.787 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -121.89 94.51 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.752 1.16 . . . . 0.0 108.577 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -78.12 172.09 14.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.305 1.042 . . . . 0.0 109.565 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -11.91 3.19 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.77 -17.43 44.65 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-O 118.038 -1.424 . . . . 0.0 114.866 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.51 140.19 39.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.838 1.819 . . . . 0.0 109.517 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.42 106.8 2.64 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 124.536 1.134 . . . . 0.0 113.375 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -85.74 -173.54 4.67 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.51 1.124 . . . . 0.0 108.322 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.79 152.31 34.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.98 99.49 4.3 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.18 130.72 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 105.031 -2.211 . . . . 0.0 105.031 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -55.91 -6.83 0.25 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.53 2.332 . . . . 0.0 114.524 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -67.76 -0.61 4.28 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.595 2.358 . . . . 0.0 113.112 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 80.09 7.86 1.56 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.742 2.817 . . . . 0.0 112.225 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -113.82 150.66 33.19 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.312 1.445 . . . . 0.0 109.233 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.9 tp -108.85 141.39 40.97 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 125.364 1.465 . . . . 0.0 108.298 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -138.29 159.33 42.33 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 126.01 1.724 . . . . 0.0 110.017 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.13 157.39 16.31 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 102.311 -3.218 . . . . 0.0 102.311 177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.37 -46.54 52.19 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 118.599 -1.112 . . . . 0.0 111.844 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' HD2' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -60.78 -51.06 70.95 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.985 1.392 . . . . 0.0 111.527 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.5 m -61.39 -38.41 86.97 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.265 1.026 . . . . 0.0 111.769 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -69.53 -39.15 77.66 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -62.69 -17.28 60.37 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.517 1.127 . . . . 0.0 111.743 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.56 -48.97 11.93 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.445 -0.784 . . . . 0.0 111.515 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.69 -37.58 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 122.808 0.443 . . . . 0.0 112.176 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.6 m -62.08 -11.38 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -8.15 54.25 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.309 -0.87 . . . . 0.0 112.41 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.63 168.13 33.22 Favored Glycine 0 CA--C 1.528 0.869 0 CA-C-N 120.389 1.449 . . . . 0.0 113.003 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -78.47 60.99 7.76 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 125.063 3.842 . . . . 0.0 112.252 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.3 m -63.59 146.89 52.85 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.518 0.727 . . . . 0.0 109.229 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.28 176.22 12.21 Favored 'General case' 0 N--CA 1.462 0.128 0 O-C-N 120.848 -1.157 . . . . 0.0 110.157 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.871 0 N-CA-C 107.588 -2.205 . . . . 0.0 107.588 179.592 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -62.08 138.27 58.37 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.582 1.153 . . . . 0.0 107.949 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -65.44 -47.48 76.03 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 118.496 0.589 . . . . 0.0 110.533 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.04 92.71 0.09 OUTLIER Glycine 0 C--N 1.334 0.42 0 N-CA-C 108.441 -1.863 . . . . 0.0 108.441 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -144.39 169.72 17.39 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 118.69 1.245 . . . . 0.0 112.082 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -77.08 173.32 11.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.373 0.606 . . . . 0.0 109.565 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.12 61.47 0.05 OUTLIER Glycine 0 CA--C 1.519 0.323 0 N-CA-C 107.977 -2.049 . . . . 0.0 107.977 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -150.47 138.75 20.34 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -140.44 166.06 25.74 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.19 1.396 . . . . 0.0 107.698 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -79.79 -26.87 40.45 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -75.67 129.66 37.49 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.4 143.91 11.24 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 106.06 -2.816 . . . . 0.0 106.06 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -151.54 163.38 39.15 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.51 10.8 23.92 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 125.524 1.53 . . . . 0.0 114.178 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.7 -148.33 8.39 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 120.644 1.565 . . . . 0.0 113.346 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -139.19 166.44 24.51 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 126.281 1.832 . . . . 0.0 109.613 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -128.95 163.95 24.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 128.687 2.795 . . . . 0.0 109.996 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . 41.4 t -69.55 112.83 6.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 116.616 -1.659 . . . . 0.0 108.134 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -64.83 19.8 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.182 1.793 . . . . 0.0 114.818 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 18' ' ' CYS . . . -126.82 -36.16 0.53 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 128.939 3.161 . . . . 0.0 110.13 178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 p -125.63 -2.7 7.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m 67.33 -3.35 1.05 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.573 1.949 . . . . 0.0 113.497 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 mt -85.0 153.91 22.46 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 120.48 1.491 . . . . 0.0 108.313 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.9 tp -71.31 158.64 36.0 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.136 2.175 . . . . 0.0 113.555 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -121.32 154.34 36.54 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 127.671 2.389 . . . . 0.0 106.202 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.9 p -143.05 -8.01 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.587 0.755 . . . . 0.0 112.448 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -124.31 -148.15 7.36 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.129 1.347 . . . . 0.0 111.173 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.02 165.68 29.3 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.048 1.832 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -147.93 173.45 12.85 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.16 1.784 . . . . 0.0 106.88 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 95.9 mtp -120.0 147.95 44.16 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -109.44 127.59 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.12 142.43 11.69 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.58 33.4 54.45 Favored Glycine 0 CA--C 1.525 0.656 0 CA-C-O 118.135 -1.37 . . . . 0.0 112.754 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.271 8.1 pt-20 60.28 -5.13 0.1 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 128.981 2.912 . . . . 0.0 115.887 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -96.52 -171.99 2.4 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 125.121 1.368 . . . . 0.0 111.236 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -134.0 138.59 45.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.219 1.407 . . . . 0.0 108.492 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -147.44 164.26 33.92 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.502 1.121 . . . . 0.0 108.674 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 26.7 m80 -63.89 154.35 81.55 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 117.998 -1.481 . . . . 0.0 112.259 178.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.36 -5.63 16.43 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 125.116 3.877 . . . . 0.0 113.349 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -114.32 9.6 16.96 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.876 2.07 . . . . 0.0 111.079 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . 0.273 7.2 m -121.57 -4.31 9.29 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.468 -1.395 . . . . 0.0 114.495 -178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -87.67 91.68 8.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 102.299 -3.223 . . . . 0.0 102.299 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.63 153.06 51.76 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.33 1.052 . . . . 0.0 111.635 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.9 t -68.25 123.77 21.64 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 98.4 mtp -62.44 -30.7 71.42 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.626 1.103 . . . . 0.0 111.915 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -33.03 69.66 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' SG ' HG12 ' A' ' 49' ' ' VAL . 4.3 p -124.04 -10.58 7.63 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 115.113 1.524 . . . . 0.0 115.113 -177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp 66.28 7.49 4.93 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 126.159 1.784 . . . . 0.0 115.315 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.569 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.8 p -73.86 142.29 15.05 Favored 'Isoleucine or valine' 0 C--O 1.247 0.925 0 N-CA-C 105.358 -2.089 . . . . 0.0 105.358 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.1 mm -69.05 148.61 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.6 mt -106.59 102.53 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 103.543 -2.762 . . . . 0.0 103.543 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -68.8 171.54 7.72 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.1 10.59 0.28 Allowed 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.036 -1.04 . . . . 0.0 112.477 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.0 28.1 4.18 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 126.408 1.956 . . . . 0.0 116.813 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -131.69 177.04 7.82 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.585 2.692 . . . . 0.0 108.272 177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.55 144.06 36.72 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 121.366 -0.834 . . . . 0.0 109.292 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -136.4 169.34 17.83 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.153 0.981 . . . . 0.0 109.856 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.69 130.31 16.92 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.7 mt -98.82 119.88 38.32 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 104.009 -2.589 . . . . 0.0 104.009 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.4 t -93.73 124.88 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 38.85 46.08 1.02 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.283 2.233 . . . . 0.0 112.001 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.1 p80 44.03 23.84 0.07 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 128.959 2.903 . . . . 0.0 114.765 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.39 -6.06 2.28 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.6 m -136.15 140.43 43.64 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.2 tp -118.69 128.79 54.85 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 124.07 0.948 . . . . 0.0 112.201 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -133.44 161.69 33.89 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.982 0.913 . . . . 0.0 110.569 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.11 161.59 14.69 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.85 -48.69 44.07 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 118.816 0.735 . . . . 0.0 113.135 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -62.78 -36.05 81.82 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.688 1.244 . . . . 0.0 112.845 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -76.84 -51.11 11.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.655 1.182 . . . . 0.0 110.157 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -59.61 -30.56 68.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.988 0.813 . . . . 0.0 110.743 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -60.94 -22.99 64.94 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.945 -0.472 . . . . 0.0 111.931 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -79.67 -42.26 25.15 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 124.922 1.289 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.69 -24.27 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.82 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 m -95.42 -14.0 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 119.283 0.947 . . . . 0.0 111.961 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.8 t -69.65 154.72 41.59 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.76 -146.48 50.35 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -65.01 106.92 0.84 Allowed 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 122.479 2.119 . . . . 0.0 111.72 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.7 m -178.04 165.77 1.95 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 129.953 3.301 . . . . 0.0 107.838 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.1 p -120.45 178.02 4.82 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.05 0.94 . . . . 0.0 113.525 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.461 0 O-C-N 120.264 -1.523 . . . . 0.0 112.107 179.447 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 108.778 -1.729 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -150.6 106.2 3.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -145.16 148.86 34.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 125.21 1.404 . . . . 0.0 108.838 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.49 66.32 0.01 OUTLIER Glycine 0 C--N 1.333 0.392 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 t -144.76 -173.52 4.08 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 127.261 2.224 . . . . 0.0 106.883 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -161.61 155.16 21.46 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 127.644 2.378 . . . . 0.0 105.784 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.41 175.2 32.93 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -116.45 165.87 12.72 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -117.2 91.3 3.54 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 125.43 1.492 . . . . 0.0 107.981 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -117.61 -20.78 8.84 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.426 1.49 . . . . 0.0 112.989 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -71.29 165.91 22.7 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.48 13.9 59.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 120.863 -1.148 . . . . 0.0 114.28 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 163.96 4.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 119.128 1.464 . . . . 0.0 111.876 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -126.56 -19.11 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.821 1.648 . . . . 0.0 112.211 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -161.86 -172.49 29.33 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 118.895 0.771 . . . . 0.0 112.582 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.17 149.46 22.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 126.22 1.808 . . . . 0.0 109.655 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -128.54 150.96 49.96 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.661 1.985 . . . . 0.0 107.715 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.2 t -55.55 116.88 3.14 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.739 1.154 . . . . 0.0 110.053 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -73.53 31.12 0.07 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.87 1.668 . . . . 0.0 112.849 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.16 -31.77 0.32 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 128.044 2.735 . . . . 0.0 110.626 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 p -129.73 -0.78 4.85 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.846 1.424 . . . . 0.0 114.846 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m 70.69 -8.52 0.91 Allowed 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.436 1.494 . . . . 0.0 113.49 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 154.32 22.65 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 121.313 1.869 . . . . 0.0 111.319 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 26' ' ' THR . 25.1 tp -68.96 143.69 54.34 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 127.335 2.254 . . . . 0.0 112.93 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -20.25 49.81 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.242 1.017 . . . . 0.0 111.963 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.51 ' H ' ' HG ' ' A' ' 24' ' ' LEU . 64.0 p 55.11 35.13 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.793 1.637 . . . . 0.0 111.584 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 135.4 -108.37 0.69 Allowed Glycine 0 CA--C 1.527 0.799 0 CA-C-O 117.964 -1.464 . . . . 0.0 110.828 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -71.84 153.72 58.67 Favored 'Trans proline' 0 N--CA 1.454 -0.826 0 C-N-CA 122.902 2.401 . . . . 0.0 114.681 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -149.88 175.07 11.97 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 128.722 2.809 . . . . 0.0 107.811 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 80.3 mtp -118.69 149.79 40.83 Favored 'General case' 0 C--O 1.242 0.691 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -124.43 130.0 73.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.783 0.833 . . . . 0.0 110.955 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.99 132.96 15.15 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.44 18.66 58.9 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 76.41 -3.41 2.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.439 2.695 . . . . 0.0 111.545 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -79.17 164.13 24.47 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.243 1.817 . . . . 0.0 110.516 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -119.61 125.13 48.02 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.787 0.835 . . . . 0.0 111.516 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -137.26 154.91 50.03 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 123.351 0.66 . . . . 0.0 110.28 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -67.9 150.65 97.69 Favored Pre-proline 0 N--CA 1.48 1.044 0 CA-C-O 117.012 -1.471 . . . . 0.0 108.196 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.83 -46.54 19.33 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.546 2.164 . . . . 0.0 111.425 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -64.14 1.34 0.73 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.151 -0.968 . . . . 0.0 113.158 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 91.4 m -120.58 1.18 10.59 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.235 1.414 . . . . 0.0 112.084 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -91.07 98.55 11.83 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 100.494 -3.891 . . . . 0.0 100.494 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -143.33 160.89 39.69 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 35.2 t -65.27 123.06 18.58 Favored 'General case' 0 C--N 1.346 0.444 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.3 ttm -59.75 -31.63 69.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.854 1.207 . . . . 0.0 112.073 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -44.09 40.97 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.615 1.566 . . . . 0.0 114.72 -179.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' SG ' HG12 ' A' ' 49' ' ' VAL . 3.7 p -105.99 -5.89 19.2 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 62.35 -0.27 0.53 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.742 2.417 . . . . 0.0 116.192 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.8 p -68.1 143.9 14.86 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 CA-C-N 120.688 1.586 . . . . 0.0 108.856 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -73.24 139.08 20.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.2 mt -105.68 110.84 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 101.98 -3.341 . . . . 0.0 101.98 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.98 164.69 10.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.936 0.494 . . . . 0.0 111.148 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.19 50.63 0.92 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.171 2.188 . . . . 0.0 109.87 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.65 -21.11 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 C-N-CA 128.711 3.053 . . . . 0.0 110.901 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -64.77 149.82 48.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.764 1.782 . . . . 0.0 109.071 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.2 86.09 1.07 Allowed 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.802 0.811 . . . . 0.0 109.733 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -78.88 169.95 17.44 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 125.069 1.348 . . . . 0.0 109.565 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.95 109.34 3.78 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tp -90.6 156.57 18.04 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 62' ' ' HIS . 90.5 t -127.04 159.94 36.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 125.016 1.326 . . . . 0.0 108.475 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -60.79 1.45 0.14 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.601 1.16 . . . . 0.0 113.133 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 60' ' ' VAL . 32.6 t60 -111.89 167.47 10.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 129.046 2.938 . . . . 0.0 108.488 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.52 67.04 7.33 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.5 m -149.9 152.2 34.66 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 120.47 -1.394 . . . . 0.0 109.21 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 tp -128.77 142.15 51.08 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.328 1.851 . . . . 0.0 109.184 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.68 169.31 17.74 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 124.564 1.146 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.9 160.28 14.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.34 -44.56 89.67 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-N 119.044 0.838 . . . . 0.0 112.985 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -59.32 5.55 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.215 1.008 . . . . 0.0 109.738 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.28 63.6 m -59.0 -32.71 69.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.28 1.032 . . . . 0.0 112.606 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -64.07 -39.56 94.34 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 119.818 1.19 . . . . 0.0 109.021 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -70.04 -40.26 75.25 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -60.97 -25.65 67.0 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.205 1.802 . . . . 0.0 112.932 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.81 -41.47 15.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 119.128 0.877 . . . . 0.0 110.883 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.45 -27.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.106 0.866 . . . . 0.0 111.729 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.2 m -66.17 155.55 36.63 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.662 0.665 . . . . 0.0 111.111 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.64 -96.93 0.16 Allowed Glycine 0 CA--C 1.523 0.541 0 CA-C-O 118.642 -1.088 . . . . 0.0 112.964 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -89.43 -164.4 0.16 Allowed 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 124.188 3.259 . . . . 0.0 111.107 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.73 1.16 0.27 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.58 1.952 . . . . 0.0 114.736 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.5 p -63.09 -11.61 21.14 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 120.76 1.618 . . . . 0.0 113.237 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.913 0 C-N-CA 124.783 1.182 . . . . 0.0 111.387 178.86 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.764 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -162.66 -178.19 6.04 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.427 2.291 . . . . 0.0 106.661 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -147.71 128.49 14.32 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 108.948 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 103.97 0.19 Allowed Glycine 0 CA--C 1.526 0.741 0 C-N-CA 124.488 1.042 . . . . 0.0 111.008 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -143.28 137.87 29.16 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -159.66 163.95 34.45 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 110.855 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.87 -175.1 15.68 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 107.084 -2.407 . . . . 0.0 107.084 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -160.14 139.36 10.87 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 106.514 -1.662 . . . . 0.0 106.514 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -101.74 177.93 4.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.014 1.326 . . . . 0.0 111.64 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -158.96 -172.56 3.85 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 129.826 3.251 . . . . 0.0 106.19 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -142.95 162.94 34.13 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 120.108 -1.62 . . . . 0.0 107.981 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.29 -166.69 32.73 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 118.638 0.654 . . . . 0.0 112.063 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -55.09 130.94 43.81 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.291 1.436 . . . . 0.0 107.86 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -61.21 -54.25 46.64 Favored 'General case' 0 C--O 1.224 -0.255 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.89 -162.76 45.36 Favored Glycine 0 C--N 1.336 0.533 0 CA-C-O 122.299 0.944 . . . . 0.0 112.838 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -115.61 109.06 17.22 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -72.84 129.01 37.19 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.115 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.91 114.77 6.75 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 117.133 -1.413 . . . . 0.0 108.021 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.12 -23.35 46.53 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.662 1.119 . . . . 0.0 110.021 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.21 -27.48 63.91 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.973 -1.459 . . . . 0.0 113.747 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.5 p -138.08 -1.55 1.95 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 117.968 2.581 . . . . 0.0 117.968 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.3 t 58.8 52.71 6.39 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.827 1.194 . . . . 0.0 110.362 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.7 mt -142.67 154.99 44.85 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.805 1.242 . . . . 0.0 108.412 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 tp -73.76 122.63 22.72 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.608 1.963 . . . . 0.0 113.042 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.6 ptp -83.98 152.56 24.38 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.4 p -136.56 -11.85 1.82 Allowed 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.18 -152.61 10.67 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 125.112 1.339 . . . . 0.0 109.854 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -65.31 169.53 12.23 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.16 2.573 . . . . 0.0 110.971 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -140.57 172.32 12.88 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.333 0.653 . . . . 0.0 112.608 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 91.5 mtp -131.75 162.66 29.97 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.7 t -134.41 141.83 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 125.063 1.345 . . . . 0.0 107.82 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -150.69 123.99 8.91 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.23 32.33 71.61 Favored Glycine 0 C--O 1.227 -0.34 0 CA-C-O 119.107 -0.829 . . . . 0.0 114.241 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 74.46 6.6 4.58 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.526 1.13 . . . . 0.0 111.741 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -106.76 159.15 16.44 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.111 1.364 . . . . 0.0 109.344 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -105.64 122.58 46.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.257 1.023 . . . . 0.0 112.214 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -133.34 149.6 51.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.187 1.395 . . . . 0.0 110.655 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -78.28 155.56 79.31 Favored Pre-proline 0 N--CA 1.476 0.874 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -59.61 -47.85 15.01 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 124.138 3.226 . . . . 0.0 112.616 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' H ' ' HG3' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -61.39 4.42 0.09 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.68 1.992 . . . . 0.0 114.886 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.17 4.6 2.48 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.51 1.524 . . . . 0.0 110.586 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -84.62 85.27 7.45 Favored 'General case' 0 N--CA 1.45 -0.46 1 N-CA-C 98.324 -4.695 . . . . 0.0 98.324 177.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -140.41 154.07 46.55 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 121.025 -1.047 . . . . 0.0 113.683 -177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.553 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 11.2 t -63.67 123.76 19.67 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.43 ' HG3' HG23 ' A' ' 64' ' ' THR . 6.7 mmt -56.01 -49.38 73.81 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.118 0.872 . . . . 0.0 111.828 -179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -62.17 -26.28 68.24 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 117.584 2.438 . . . . 0.0 117.584 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -126.35 -11.1 6.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -176.612 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp 50.18 63.5 2.17 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.222 1.809 . . . . 0.0 111.82 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.9 p -124.65 133.54 69.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 N-CA-C 104.222 -2.51 . . . . 0.0 104.222 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.32 135.44 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.59 92.74 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 100.996 -3.705 . . . . 0.0 100.996 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.17 174.54 6.23 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.236 0.541 . . . . 0.0 109.85 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.93 -12.01 4.03 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.349 1.459 . . . . 0.0 113.932 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.0 -8.92 38.24 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-O 117.487 -1.729 . . . . 0.0 113.833 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -87.51 150.96 23.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.638 2.219 . . . . 0.0 108.371 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.61 87.04 5.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.52 0.676 . . . . 0.0 110.66 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -76.66 169.03 19.04 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 123.809 0.844 . . . . 0.0 111.252 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.44 153.16 40.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.156 1.782 . . . . 0.0 107.767 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.8 mt -133.33 127.08 32.76 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.722 1.209 . . . . 0.0 110.581 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 62' ' ' HIS . 54.1 t -93.86 158.53 2.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 N-CA-C 106.396 -1.705 . . . . 0.0 106.396 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -56.81 -17.87 10.78 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.473 ' H ' HG12 ' A' ' 60' ' ' VAL . 16.8 m170 -88.57 -179.66 6.09 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.688 1.995 . . . . 0.0 110.315 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.24 49.18 1.09 Allowed 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.063 -1.023 . . . . 0.0 110.536 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 45' ' ' MET . 18.6 m -143.57 143.71 31.62 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.249 1.019 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.64 144.31 48.83 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -132.41 176.06 8.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 122.397 1.094 . . . . 0.0 109.261 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.74 161.46 14.32 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.18 -44.62 93.15 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.754 1.161 . . . . 0.0 112.233 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -61.14 -33.03 72.75 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.544 1.138 . . . . 0.0 111.834 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.253 1.3 m -79.32 -42.94 24.58 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.188 1.795 . . . . 0.0 110.483 177.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -66.14 -41.91 89.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 119.563 1.074 . . . . 0.0 110.81 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -60.46 -21.07 61.92 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.565 0.746 . . . . 0.0 111.964 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -85.96 -44.37 12.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.308 1.043 . . . . 0.0 110.509 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.7 m -66.08 -37.07 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.042 -1.036 . . . . 0.0 111.838 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.8 p -62.2 -23.79 32.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 118.966 0.803 . . . . 0.0 111.489 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.3 t -73.88 -0.83 17.21 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.089 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 17.51 80.12 0.01 OUTLIER Glycine 0 C--N 1.345 1.033 0 C-N-CA 129.953 3.644 . . . . 0.0 114.426 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.96 -30.85 92.64 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.09 1.86 . . . . 0.0 112.755 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 p -120.84 -177.56 3.51 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.803 2.441 . . . . 0.0 110.265 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -58.42 -19.75 38.92 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.295 1.038 . . . . 0.0 113.423 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 -179.204 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.578 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -147.86 138.85 23.35 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 106.295 -1.742 . . . . 0.0 106.295 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m 55.37 30.17 14.4 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.264 1.026 . . . . 0.0 110.775 -177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.06 128.65 48.11 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.057 -1.617 . . . . 0.0 109.057 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -54.78 128.2 31.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 p -142.01 158.2 44.05 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.776 1.63 . . . . 0.0 107.585 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.78 -80.7 1.51 Allowed Glycine 0 CA--C 1.518 0.265 0 N-CA-C 103.992 -3.643 . . . . 0.0 103.992 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -76.69 151.59 36.05 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -148.95 63.67 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 123.146 1.451 . . . . 0.0 108.308 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -64.75 -14.29 58.27 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.055 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -71.07 -19.19 62.51 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.841 1.256 . . . . 0.0 111.291 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.75 -130.73 3.16 Favored Glycine 0 C--N 1.34 0.801 0 C-N-CA 126.025 1.774 . . . . 0.0 112.733 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -143.59 116.83 8.99 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 104.893 -2.262 . . . . 0.0 104.893 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -139.68 -28.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.583 0.753 . . . . 0.0 112.856 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.25 -176.49 44.49 Favored Glycine 0 C--O 1.238 0.352 0 CA-C-N 119.234 0.925 . . . . 0.0 112.41 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 154.83 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.957 1.303 . . . . 0.0 108.097 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -128.46 147.7 50.69 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.606 1.562 . . . . 0.0 107.768 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 t -68.7 109.62 3.9 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.527 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -50.36 -40.77 50.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 121.232 1.833 . . . . 0.0 111.276 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.93 -34.63 30.73 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.368 -1.24 . . . . 0.0 113.632 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.7 p -122.72 -10.26 8.32 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.308 1.554 . . . . 0.0 114.35 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m 70.48 0.12 3.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.735 2.814 . . . . 0.0 113.417 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.96 159.52 18.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.558 1.072 . . . . 0.0 109.23 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 25' ' ' MET . 49.4 tp -62.63 164.12 8.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.46 1.904 . . . . 0.0 111.578 -179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.405 ' H ' HD12 ' A' ' 24' ' ' LEU . 24.0 ptp -125.27 152.09 45.1 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.035 2.134 . . . . 0.0 106.393 178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.7 p -115.87 -6.09 12.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -153.24 -133.98 1.94 Allowed Glycine 0 CA--C 1.526 0.747 0 CA-C-O 118.29 -1.283 . . . . 0.0 110.162 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -65.56 170.14 11.59 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 123.452 2.768 . . . . 0.0 112.394 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.64 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 6.5 p90 -142.34 169.01 18.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 127.281 2.232 . . . . 0.0 107.167 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.5 mtp -116.23 128.69 55.81 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.1 t -109.17 129.17 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -155.59 140.47 17.21 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 54.27 22.92 23.91 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.789 -1.006 . . . . 0.0 113.889 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 75.19 11.75 3.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.28 2.232 . . . . 0.0 112.468 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -93.71 179.04 5.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.305 1.842 . . . . 0.0 112.304 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 25.3 mmtp -132.76 122.09 24.0 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.589 1.556 . . . . 0.0 107.817 178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.87 150.52 50.47 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -61.5 149.92 82.37 Favored Pre-proline 0 N--CA 1.473 0.715 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.267 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 -5.64 17.47 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 124.295 3.33 . . . . 0.0 113.663 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -118.12 16.4 14.11 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.582 1.953 . . . . 0.0 109.306 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.7 m -135.54 3.16 3.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -83.87 115.7 22.4 Favored 'General case' 0 C--N 1.328 -0.328 1 N-CA-C 100.125 -4.028 . . . . 0.0 100.125 177.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.74 159.96 43.76 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.281 0.946 . . . . 0.0 112.518 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.469 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 48.9 t -66.47 123.33 19.72 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 100.54 -3.874 . . . . 0.0 100.54 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.9 tmm? -58.2 -54.24 49.26 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 121.482 1.946 . . . . 0.0 108.507 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 t -47.63 -59.08 3.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 126.747 2.019 . . . . 0.0 113.462 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.621 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -91.36 -9.58 44.36 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt 64.42 -0.09 0.98 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 127.868 2.467 . . . . 0.0 115.628 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.621 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.0 p -70.68 143.87 14.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 120.694 1.588 . . . . 0.0 109.575 179.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.0 mm -66.0 144.09 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 124.683 1.193 . . . . 0.0 109.064 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.3 mt -114.74 139.75 39.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -126.77 175.76 7.76 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 126.53 1.932 . . . . 0.0 109.115 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.48 49.96 1.39 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 123.065 1.412 . . . . 0.0 107.973 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' ASP . . . -157.86 -11.33 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 C-N-CA 127.696 2.569 . . . . 0.0 112.025 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLY . 5.5 t70 -92.66 -150.54 0.27 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 178.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.4 142.73 31.35 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -144.62 166.75 24.3 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.383 0.673 . . . . 0.0 111.792 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.5 125.02 11.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.187 1.395 . . . . 0.0 108.9 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 146.0 24.98 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 105.523 -2.028 . . . . 0.0 105.523 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.71 160.24 40.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 126.503 1.921 . . . . 0.0 108.85 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 61' ' ' GLN . 26.8 mp0 -52.08 -57.0 10.89 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.657 1.583 . . . . 0.0 108.235 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.85 146.98 53.83 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.78 62.11 0.1 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.205 2.202 . . . . 0.0 112.479 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.9 m -139.32 135.88 34.24 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.0 tp -108.83 138.79 44.6 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 124.931 1.292 . . . . 0.0 108.632 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -133.98 163.11 30.28 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.477 1.111 . . . . 0.0 109.238 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.37 162.46 14.25 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.77 16.58 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 124.885 1.231 . . . . 0.0 113.367 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -63.65 -52.19 61.83 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.017 0.909 . . . . 0.0 110.306 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.284 1.5 m -56.52 -43.48 79.82 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.892 1.277 . . . . 0.0 111.416 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -68.82 -37.02 78.93 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 119.831 1.196 . . . . 0.0 108.762 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.82 -12.1 22.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.672 0.789 . . . . 0.0 111.413 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -100.2 -45.55 5.59 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -23.42 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.237 1.015 . . . . 0.0 113.092 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.9 m -69.62 -12.17 15.73 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 O-C-N 121.148 -0.97 . . . . 0.0 110.792 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.6 t -71.2 142.91 50.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -66.83 162.01 46.06 Favored Glycine 0 CA--C 1.536 1.383 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -70.01 160.62 48.96 Favored 'Trans proline' 0 C--O 1.24 0.612 0 C-N-CA 122.706 2.271 . . . . 0.0 112.156 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 m -85.14 153.33 22.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.55 173.28 7.24 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.942 0.877 . . . . 0.0 110.288 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 N-CA-C 105.692 -2.963 . . . . 0.0 105.692 179.124 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -74.07 133.47 42.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -161.72 163.89 29.39 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.67 169.82 18.37 Favored Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -157.37 125.63 5.55 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.473 0.709 . . . . 0.0 110.574 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 m -79.58 168.89 18.79 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.24 0.616 . . . . 0.0 109.766 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.18 30.12 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.869 0.747 . . . . 0.0 111.691 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -158.72 -77.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -92.36 152.39 19.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -163.02 -22.08 0.04 OUTLIER 'General case' 0 C--O 1.236 0.373 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -69.22 -21.04 63.96 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.272 0.942 . . . . 0.0 111.307 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.29 85.74 0.56 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 108.676 -1.77 . . . . 0.0 108.676 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -148.64 81.39 1.45 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.3 32.31 0.15 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.35 1.86 . . . . 0.0 111.575 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.92 -167.04 40.45 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 127.217 2.342 . . . . 0.0 111.414 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -98.24 143.45 28.73 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.959 1.304 . . . . 0.0 109.199 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -129.28 160.18 33.81 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.798 2.039 . . . . 0.0 109.545 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 5.9 t -73.65 106.95 5.63 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 103.439 -2.8 . . . . 0.0 103.439 177.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -46.9 -42.35 17.4 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.743 1.156 . . . . 0.0 113.31 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.13 -27.6 71.68 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 117.349 -1.806 . . . . 0.0 114.456 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 18' ' ' CYS . 2.2 p -120.59 -7.12 9.68 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 t 70.82 -13.0 0.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.735 1.614 . . . . 0.0 114.052 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.2 mt -76.35 148.18 37.61 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 119.853 -1.779 . . . . 0.0 110.396 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.91 153.01 25.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.393 1.477 . . . . 0.0 110.509 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.7 ptp -107.53 -50.8 3.01 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . 0.253 7.5 t 43.87 29.58 0.32 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.061 2.144 . . . . 0.0 113.198 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.64 -146.46 4.86 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.211 1.386 . . . . 0.0 111.843 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -62.55 154.91 61.63 Favored 'Trans proline' 0 C--O 1.241 0.628 0 C-N-CA 122.748 2.299 . . . . 0.0 112.847 -178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -149.3 167.68 25.41 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 125.898 1.679 . . . . 0.0 111.237 -179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.7 mtp -128.52 147.98 50.72 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.65 129.79 74.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 C-N-CA 125.0 1.32 . . . . 0.0 112.366 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.34 140.74 15.6 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.55 20.37 51.39 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.788 -1.007 . . . . 0.0 113.915 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 77.79 5.21 2.91 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 128.443 2.697 . . . . 0.0 113.353 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -101.53 -177.58 3.47 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 125.011 1.324 . . . . 0.0 108.614 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -132.18 140.97 48.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -141.51 156.87 45.7 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.75 0.82 . . . . 0.0 110.64 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' ND1' ' HB2' ' A' ' 18' ' ' CYS . 38.1 m80 -70.87 147.24 94.01 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 177.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -62.8 -31.91 78.03 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 122.522 2.148 . . . . 0.0 109.935 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -64.94 -8.67 16.6 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 120.203 -1.561 . . . . 0.0 111.837 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.96 -4.21 12.6 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.331 1.853 . . . . 0.0 112.619 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -89.5 94.3 9.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.84 167.36 24.97 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 4.2 t -85.57 123.56 31.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 178.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.5 mmt -61.98 -57.6 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.62 1.168 . . . . 0.0 109.01 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -54.69 -19.11 5.51 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.471 1.909 . . . . 0.0 115.567 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 44' ' ' CYS . 0.8 OUTLIER -130.6 -10.61 4.0 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 52.09 58.76 5.1 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 127.695 2.398 . . . . 0.0 111.692 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' SG ' ' A' ' 47' ' ' CYS . 3.4 p -124.25 137.85 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.5 mm -70.31 140.98 17.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mt -102.23 108.83 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -75.29 156.31 35.76 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -70.71 106.14 3.43 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.55 -26.4 1.97 Allowed Glycine 0 CA--C 1.526 0.735 0 CA-C-O 118.362 -1.244 . . . . 0.0 110.442 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -86.07 153.67 21.94 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.568 1.684 . . . . 0.0 108.422 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.81 148.25 32.96 Favored 'General case' 0 C--O 1.237 0.418 0 O-C-N 121.01 -1.056 . . . . 0.0 111.325 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -143.07 168.21 20.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.741 1.216 . . . . 0.0 109.31 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.59 139.83 29.87 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.5 tp -113.04 114.35 26.75 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 105.828 -1.915 . . . . 0.0 105.828 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.9 t -94.22 108.07 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 63' ' ' ALA . 1.6 mp0 48.33 28.42 1.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.026 2.13 . . . . 0.0 113.064 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 m170 71.5 -36.03 0.35 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 127.909 2.483 . . . . 0.0 110.942 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -59.01 -29.5 67.31 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 126.957 2.103 . . . . 0.0 114.622 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.34 155.83 49.94 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 119.911 1.232 . . . . 0.0 111.066 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.2 tp -126.22 134.14 51.31 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.079 1.752 . . . . 0.0 107.833 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -134.89 161.44 35.24 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.674 1.59 . . . . 0.0 108.966 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.2 161.85 14.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.62 -48.59 60.57 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 119.608 1.095 . . . . 0.0 112.246 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.4 mmtt -58.49 -58.37 8.85 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.265 -1.138 . . . . 0.0 110.795 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.98 -41.72 75.21 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.211 2.204 . . . . 0.0 112.521 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -73.8 -45.13 53.39 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.62 0.646 . . . . 0.0 109.915 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -53.83 -37.63 63.79 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 123.71 0.804 . . . . 0.0 109.666 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -63.05 -50.63 69.89 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 125.635 1.574 . . . . 0.0 111.811 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.77 -28.43 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.15 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.0 m -88.26 -22.34 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 119.699 1.136 . . . . 0.0 112.245 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -82.45 -37.74 24.99 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 121.121 -0.987 . . . . 0.0 109.848 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.64 -179.2 14.1 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 123.621 0.629 . . . . 0.0 112.381 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -62.65 103.27 0.32 Allowed 'Trans proline' 0 C--O 1.241 0.657 0 C-N-CA 124.063 3.175 . . . . 0.0 109.492 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -148.55 150.92 34.2 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.338 1.055 . . . . 0.0 110.466 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.4 p -130.69 -168.59 2.01 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.148 1.779 . . . . 0.0 111.83 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 N-CA-C 108.731 -1.748 . . . . 0.0 108.731 179.612 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.54 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -153.78 150.01 28.03 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.725 2.01 . . . . 0.0 106.77 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -175.13 166.36 3.46 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 127.588 2.355 . . . . 0.0 108.001 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.05 -172.61 6.76 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.311 0.958 . . . . 0.0 113.82 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 p 170.81 161.81 0.08 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 129.615 3.166 . . . . 0.0 107.041 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -162.03 165.85 26.73 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.564 1.945 . . . . 0.0 106.694 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.48 112.24 0.69 Allowed Glycine 0 CA--C 1.519 0.334 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -148.29 -166.29 2.5 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 127.609 2.364 . . . . 0.0 106.751 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.16 146.84 28.41 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -139.3 -30.39 0.73 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.946 1.298 . . . . 0.0 111.147 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.22 176.68 9.29 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.66 1.184 . . . . 0.0 109.905 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.95 71.53 0.83 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 124.594 1.093 . . . . 0.0 110.423 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -127.4 154.35 45.12 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 125.379 1.471 . . . . 0.0 107.745 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.48 65.08 0.76 Allowed 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 122.112 0.958 . . . . 0.0 110.834 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.49 164.05 33.31 Favored Glycine 0 N--CA 1.437 -1.272 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -95.84 145.92 24.97 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -128.6 154.21 46.45 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.811 1.644 . . . . 0.0 109.098 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -67.53 121.44 15.85 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.41 -29.78 66.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.034 0.834 . . . . 0.0 112.071 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.16 -66.39 2.04 Favored Glycine 0 CA--C 1.522 0.491 0 O-C-N 121.675 -0.641 . . . . 0.0 112.3 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.5 p -78.41 -11.6 59.96 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.07 20.41 12.04 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.313 1.445 . . . . 0.0 111.912 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.5 mt -111.17 153.54 25.63 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.472 1.509 . . . . 0.0 111.22 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.39 169.08 17.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.974 2.11 . . . . 0.0 111.783 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.19 156.97 45.35 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 126.334 1.854 . . . . 0.0 108.384 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 p -136.57 7.68 3.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.761 1.624 . . . . 0.0 110.801 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.6 -166.39 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 128.338 2.875 . . . . 0.0 109.953 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.24 168.99 22.89 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.926 2.418 . . . . 0.0 111.177 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -149.82 169.13 21.81 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 125.736 1.615 . . . . 0.0 107.912 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mtp -120.69 161.79 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.4 t -111.34 129.59 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.25 112.92 7.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.74 26.08 64.5 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-O 118.877 -0.957 . . . . 0.0 113.137 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 77.29 -0.62 2.86 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 126.457 1.903 . . . . 0.0 111.662 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -87.44 167.95 13.55 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.082 1.353 . . . . 0.0 110.908 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -120.67 133.2 55.38 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.445 1.098 . . . . 0.0 110.192 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -146.79 155.03 42.05 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.092 1.357 . . . . 0.0 108.775 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -82.08 148.72 60.97 Favored Pre-proline 0 C--O 1.24 0.577 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.64 -48.76 12.01 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.366 2.711 . . . . 0.0 112.799 -179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -62.77 6.71 0.09 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.237 1.415 . . . . 0.0 114.488 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 67.9 m -133.17 -8.91 2.99 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.613 1.565 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -78.75 89.33 4.61 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 103.978 -2.601 . . . . 0.0 103.978 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -141.27 163.84 31.86 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 22.2 t -69.4 124.22 23.3 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.1 tpp -46.69 -54.11 10.3 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.954 0.902 . . . . 0.0 111.393 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.9 m -73.44 -13.35 61.05 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 117.511 2.411 . . . . 0.0 117.511 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.719 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -130.82 -8.95 3.97 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 122.155 2.252 . . . . 0.0 115.54 -178.531 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 58.4 5.39 0.43 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 118.315 2.709 . . . . 0.0 118.315 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.719 HG12 ' SG ' ' A' ' 47' ' ' CYS . 10.3 p -68.92 139.71 20.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 120.772 1.624 . . . . 0.0 108.996 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 22.7 mm -77.98 120.67 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 mt -84.76 164.46 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -131.93 167.31 19.84 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -80.81 63.97 5.41 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.59 23.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 C-N-CA 126.689 2.09 . . . . 0.0 110.819 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -147.65 133.01 18.53 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 121.47 12.46 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 126.478 1.911 . . . . 0.0 113.001 -178.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -117.93 172.84 7.12 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.842 1.257 . . . . 0.0 108.214 178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.2 112.24 7.26 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.67 149.59 31.2 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.9 t -141.32 156.85 21.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -62.05 176.93 0.51 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 110.21 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 m170 57.11 19.15 4.54 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.1 0.96 . . . . 0.0 111.62 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.53 27.3 13.41 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 127.307 2.243 . . . . 0.0 112.018 -178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.1 m -84.6 156.82 21.41 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.3 tp -150.39 141.41 22.98 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 120.045 -1.659 . . . . 0.0 109.147 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -134.71 165.88 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.555 0.693 . . . . 0.0 109.523 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -92.5 161.74 14.5 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.25 -47.91 41.46 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 118.854 0.752 . . . . 0.0 113.172 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -61.94 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.534 1.167 . . . . 0.0 111.815 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.0 -44.8 71.18 Favored 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.955 1.702 . . . . 0.0 112.123 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -64.61 -46.27 83.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 119.194 0.906 . . . . 0.0 109.587 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -60.58 -21.91 63.14 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.628 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.17 -58.22 3.42 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.344 1.058 . . . . 0.0 109.553 179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.8 p -60.4 -40.16 83.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 118.605 0.639 . . . . 0.0 112.558 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 m -72.73 -12.53 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 119.625 1.102 . . . . 0.0 113.116 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.0 t -60.68 171.99 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.479 1.112 . . . . 0.0 110.75 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.35 113.95 1.98 Allowed Glycine 0 CA--C 1.537 1.422 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -57.49 -20.8 42.66 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.424 2.749 . . . . 0.0 115.29 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.68 11.23 1.65 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.715 1.606 . . . . 0.0 112.167 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.9 64.13 4.65 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.134 1.774 . . . . 0.0 109.222 178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 N-CA-C 106.482 -2.647 . . . . 0.0 106.482 -179.189 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.524 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -144.49 174.96 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 125.028 1.331 . . . . 0.0 108.886 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -143.36 173.0 11.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.145 0.978 . . . . 0.0 108.574 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.84 -174.62 41.66 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 127.358 2.409 . . . . 0.0 107.737 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 p 174.64 157.29 0.16 Allowed 'General case' 0 C--O 1.237 0.438 0 C-N-CA 127.374 2.27 . . . . 0.0 108.128 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -98.24 97.03 8.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.53 178.1 52.19 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.051 -1.22 . . . . 0.0 110.051 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -129.42 -4.93 4.8 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.016 1.726 . . . . 0.0 111.652 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -141.41 169.91 16.71 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 126.919 2.087 . . . . 0.0 107.133 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -156.74 -177.67 6.78 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.024 0.93 . . . . 0.0 108.704 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -137.03 110.76 8.1 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.138 1.375 . . . . 0.0 108.195 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.12 157.99 43.66 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 109.167 -1.573 . . . . 0.0 109.167 178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -142.91 176.12 9.32 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.554 1.141 . . . . 0.0 108.497 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -70.15 -4.94 23.79 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.246 . . . . 0.0 112.986 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.82 -178.29 47.79 Favored Glycine 0 C--N 1.338 0.683 0 CA-C-O 122.528 1.071 . . . . 0.0 112.841 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -107.4 150.5 26.67 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 125.528 1.531 . . . . 0.0 109.489 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -129.1 160.07 33.98 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.609 1.563 . . . . 0.0 109.178 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.448 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 29.8 t -74.02 100.79 3.67 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 103.76 -2.681 . . . . 0.0 103.76 177.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -49.69 -35.18 20.84 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.763 1.225 . . . . 0.0 112.229 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.19 -51.81 54.11 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.778 -1.012 . . . . 0.0 112.159 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.3 -11.27 21.4 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 m 63.51 60.28 1.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.012 0.823 . . . . 0.0 109.715 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.7 mt -147.69 143.07 27.36 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.467 1.907 . . . . 0.0 106.505 177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.1 tp -73.89 169.82 16.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.538 1.935 . . . . 0.0 111.69 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.06 162.85 30.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.294 1.838 . . . . 0.0 107.165 176.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.6 p -131.85 13.69 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.528 1.131 . . . . 0.0 111.803 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.21 -155.8 6.65 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.193 1.378 . . . . 0.0 110.613 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.24 167.15 17.08 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 122.694 2.263 . . . . 0.0 111.324 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -145.5 167.92 21.83 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.72 1.208 . . . . 0.0 109.804 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.0 tpt -108.92 126.94 53.61 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.5 t -109.57 129.14 64.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -156.73 142.84 18.05 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.453 0.701 . . . . 0.0 109.393 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.64 10.68 19.17 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-O 118.242 -1.31 . . . . 0.0 113.284 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 88.54 2.92 0.28 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 130.432 3.493 . . . . 0.0 110.667 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.24 172.38 6.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.172 1.789 . . . . 0.0 109.032 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -130.83 141.36 50.33 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.737 -0.602 . . . . 0.0 112.023 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -144.92 161.11 40.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.692 0.797 . . . . 0.0 113.08 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 23.4 m170 -71.54 146.11 90.99 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-O 117.124 -1.417 . . . . 0.0 107.495 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.06 -44.33 30.26 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.295 2.664 . . . . 0.0 110.611 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -66.35 -3.57 6.24 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.406 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.3 9.86 5.69 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 124.993 1.317 . . . . 0.0 111.317 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -88.18 89.53 8.03 Favored 'General case' 0 N--CA 1.45 -0.47 1 N-CA-C 98.675 -4.565 . . . . 0.0 98.675 176.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.53 158.02 45.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.7 t -66.07 124.87 23.76 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -61.87 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 119.487 1.04 . . . . 0.0 113.317 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.4 t -57.96 -28.52 64.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.54 ' SG ' HG12 ' A' ' 49' ' ' VAL . 7.3 p -120.46 -10.68 9.23 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 115.701 1.741 . . . . 0.0 115.701 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm 67.06 1.47 2.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.753 2.021 . . . . 0.0 114.703 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' SG ' ' A' ' 47' ' ' CYS . 6.3 p -66.02 134.98 29.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 CA-C-N 120.493 1.497 . . . . 0.0 108.0 178.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.63 153.32 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.62 109.44 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 104.724 -2.325 . . . . 0.0 104.724 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -83.93 167.86 16.57 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -65.88 -0.37 2.24 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -9.98 37.79 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.746 1.641 . . . . 0.0 110.588 178.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -83.71 -165.15 1.04 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.26 1.424 . . . . 0.0 107.684 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.91 115.14 10.99 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -108.69 170.24 8.16 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 123.408 0.683 . . . . 0.0 110.334 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.86 11.69 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 151.56 43.56 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.49 157.68 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -49.42 -23.31 1.45 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.439 1.896 . . . . 0.0 113.699 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.85 -165.09 0.1 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.958 1.703 . . . . 0.0 109.375 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.19 47.93 0.9 Allowed 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -137.78 139.2 39.91 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.474 1.11 . . . . 0.0 110.822 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.2 tp -109.19 143.68 38.3 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.607 1.963 . . . . 0.0 109.548 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -133.71 168.9 17.86 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 122.494 1.14 . . . . 0.0 113.171 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.59 139.91 30.23 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.54 -35.46 56.81 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-N 119.512 1.051 . . . . 0.0 113.998 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -61.16 -54.84 39.34 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.288 1.544 . . . . 0.0 110.544 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.1 m -71.9 -34.45 69.14 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 124.282 1.033 . . . . 0.0 112.691 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -62.02 -36.34 81.25 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 119.821 1.191 . . . . 0.0 109.105 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.53 -11.66 26.02 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.214 0.606 . . . . 0.0 111.325 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -100.38 -24.52 14.49 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.691 1.596 . . . . 0.0 109.992 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.66 -11.72 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 120.804 -1.185 . . . . 0.0 112.111 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 m -72.54 -16.27 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 123.926 0.89 . . . . 0.0 109.602 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -121.54 101.81 7.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 126.597 1.959 . . . . 0.0 107.281 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.02 177.92 46.15 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.62 1.105 . . . . 0.0 110.951 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.31 -51.83 0.13 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.474 2.782 . . . . 0.0 111.291 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.2 t 41.69 36.38 0.59 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.33 1.852 . . . . 0.0 112.327 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -142.6 179.0 7.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.454 1.102 . . . . 0.0 111.696 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 -179.779 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.263 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -153.74 173.35 15.96 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 p -162.46 176.58 10.32 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.214 1.406 . . . . 0.0 108.442 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.26 161.46 35.02 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 107.671 -2.171 . . . . 0.0 107.671 179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -170.12 173.27 5.97 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.065 1.346 . . . . 0.0 107.601 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -120.61 177.2 5.16 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 127.792 2.437 . . . . 0.0 105.937 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.27 162.99 30.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.054 -1.218 . . . . 0.0 110.054 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -133.6 174.23 10.65 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.842 1.657 . . . . 0.0 108.583 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -118.2 151.14 38.2 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.329 1.051 . . . . 0.0 110.682 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.88 -19.05 0.92 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.626 1.17 . . . . 0.0 113.609 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -77.24 68.63 3.39 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.382 1.073 . . . . 0.0 109.249 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.74 -62.21 5.05 Favored Glycine 0 C--N 1.334 0.455 0 C-N-CA 125.189 1.376 . . . . 0.0 111.369 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 15' ' ' GLY . 18.6 ptpt -172.47 174.37 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.934 1.294 . . . . 0.0 108.882 179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -71.7 8.18 1.24 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.197 0.999 . . . . 0.0 111.016 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.46 ' H ' ' HG3' ' A' ' 13' ' ' LYS . . . -83.76 155.92 32.48 Favored Glycine 0 N--CA 1.444 -0.791 0 O-C-N 120.07 -1.644 . . . . 0.0 109.948 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.16 154.67 25.38 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.242 -0.979 . . . . 0.0 108.718 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -117.97 159.68 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.212 2.205 . . . . 0.0 107.702 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 43.2 t -74.34 107.54 6.57 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -46.36 -31.84 2.83 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.346 1.458 . . . . 0.0 113.606 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.53 -63.18 3.86 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.6 p -87.02 -11.79 49.33 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t 61.95 41.16 11.61 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.608 1.963 . . . . 0.0 111.56 -177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -126.59 141.25 51.92 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.0 167.92 1.47 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.736 2.814 . . . . 0.0 113.897 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.3 ptt? -140.05 157.48 45.59 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.026 1.73 . . . . 0.0 110.131 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.4 p -136.72 29.12 2.91 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.876 2.07 . . . . 0.0 110.111 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.66 -168.58 18.9 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.48 168.5 21.01 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 124.43 3.42 . . . . 0.0 110.601 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -149.42 173.18 13.84 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.571 1.148 . . . . 0.0 110.345 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.8 tpp -105.56 141.03 37.74 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.25 128.31 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 103.299 -2.852 . . . . 0.0 103.299 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -169.7 142.05 2.43 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.69 1.596 . . . . 0.0 107.76 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.84 30.28 62.85 Favored Glycine 0 C--O 1.223 -0.565 0 CA-C-O 116.953 -2.026 . . . . 0.0 114.083 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.277 5.4 pt-20 53.97 10.18 0.26 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.084 2.554 . . . . 0.0 114.928 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -107.43 -176.51 3.09 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.457 2.303 . . . . 0.0 110.633 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -128.0 123.06 33.83 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.894 -1.129 . . . . 0.0 111.423 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -136.35 152.09 50.28 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 123.205 0.602 . . . . 0.0 110.862 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 31.4 m170 -69.17 150.93 97.27 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 103.91 -2.626 . . . . 0.0 103.91 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.3 -49.37 9.4 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.711 2.274 . . . . 0.0 110.623 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -62.77 -6.11 3.38 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.87 0.868 . . . . 0.0 112.604 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -119.73 20.62 12.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.537 1.135 . . . . 0.0 111.74 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -116.84 85.59 2.35 Favored 'General case' 0 N--CA 1.449 -0.52 1 N-CA-C 99.424 -4.287 . . . . 0.0 99.424 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.44 159.73 41.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 123.949 0.9 . . . . 0.0 113.41 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 44.6 t -67.11 123.54 20.55 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -52.73 -51.23 61.35 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 120.181 1.355 . . . . 0.0 113.355 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.2 t -60.28 -59.45 5.39 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.671 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.8 p -84.39 -12.75 53.89 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -176.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm 67.85 2.44 3.08 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.697 1.999 . . . . 0.0 114.375 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.671 HG12 ' SG ' ' A' ' 47' ' ' CYS . 2.4 p -72.61 138.9 20.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 119.777 1.171 . . . . 0.0 108.907 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mm -66.11 149.42 11.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.7 mt -113.1 148.59 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 105.288 -2.115 . . . . 0.0 105.288 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -132.15 177.16 7.78 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.717 1.207 . . . . 0.0 108.42 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.01 20.47 0.1 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.579 1.552 . . . . 0.0 111.65 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -119.32 -11.48 7.37 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 126.456 1.979 . . . . 0.0 114.334 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -118.4 -165.27 1.1 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.329 2.065 . . . . 0.0 110.975 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.43 140.95 48.8 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.702 1.201 . . . . 0.0 109.416 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -129.88 162.33 28.82 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -142.0 150.61 41.56 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.7 tp -123.66 114.17 19.62 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.84 120.29 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 48.35 24.9 0.77 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.829 2.052 . . . . 0.0 112.835 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m170 53.58 32.04 13.61 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.964 1.306 . . . . 0.0 109.774 -178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.07 -22.92 3.39 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 126.459 1.904 . . . . 0.0 113.341 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -140.39 146.33 38.23 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.237 0.926 . . . . 0.0 110.871 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.1 tp -108.94 133.16 53.31 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 126.375 1.87 . . . . 0.0 110.91 -179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -139.24 166.17 25.23 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.907 0.883 . . . . 0.0 110.65 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.81 161.78 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.65 -44.73 86.26 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-N 120.008 1.276 . . . . 0.0 113.162 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -59.32 -53.56 56.82 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.55 1.175 . . . . 0.0 109.726 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.11 -37.1 81.59 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.558 1.543 . . . . 0.0 111.551 179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -73.78 -15.99 61.18 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.329 -0.857 . . . . 0.0 110.054 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -83.11 -13.15 56.22 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 121.016 -1.053 . . . . 0.0 111.566 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -96.91 -31.61 12.48 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 120.815 -1.178 . . . . 0.0 111.08 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.9 p -72.52 -35.82 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 118.738 0.699 . . . . 0.0 112.34 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.7 -17.28 17.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.621 0.768 . . . . 0.0 113.013 -178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 t -68.54 166.18 17.54 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.202 0.91 . . . . 0.0 109.468 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -54.62 110.75 1.76 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.076 1.798 . . . . 0.0 111.926 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -80.49 -176.3 3.12 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.773 2.316 . . . . 0.0 110.42 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.8 p -71.84 165.57 23.85 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.7 m -81.9 -8.34 59.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.171 -0.955 . . . . 0.0 111.847 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 -179.271 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.554 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -142.67 153.17 43.16 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.079 0.952 . . . . 0.0 108.683 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -150.15 79.85 1.36 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.8 -39.88 54.0 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 107.969 -2.052 . . . . 0.0 107.969 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.1 m -112.04 175.58 5.37 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.43 1.892 . . . . 0.0 107.023 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -160.19 -40.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 125.301 1.441 . . . . 0.0 107.58 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.16 65.51 0.21 Allowed Glycine 0 C--N 1.335 0.506 0 N-CA-C 105.724 -2.95 . . . . 0.0 105.724 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.02 78.33 1.29 Allowed 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -54.72 100.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 127.027 2.131 . . . . 0.0 108.983 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -162.36 153.53 17.79 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.07 1.748 . . . . 0.0 106.937 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.8 m95 -80.67 -25.27 38.36 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.58 -159.77 13.51 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -107.35 163.29 13.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.725 0.81 . . . . 0.0 111.202 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -83.8 -10.26 58.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.362 0.665 . . . . 0.0 111.06 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.87 155.46 11.95 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -103.9 154.65 19.39 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -128.77 142.94 50.83 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 -177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 8.6 t -65.79 109.56 2.51 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -47.85 -41.96 25.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 124.04 0.837 . . . . 0.0 110.393 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.78 -33.61 60.07 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-O 117.454 -1.748 . . . . 0.0 115.264 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -121.92 -7.65 8.94 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.416 1.608 . . . . 0.0 115.066 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.77 -0.05 1.39 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.629 1.572 . . . . 0.0 113.766 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.2 mt -79.38 163.95 24.42 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 120.4 -1.438 . . . . 0.0 110.928 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -81.54 151.89 27.52 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 127.174 2.189 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 ptt? -135.49 155.98 49.64 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.9 p -134.36 -9.09 2.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.197 1.399 . . . . 0.0 110.456 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.81 -163.54 25.97 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 127.23 2.348 . . . . 0.0 111.7 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.95 167.56 25.64 Favored 'Trans proline' 0 N--CA 1.451 -0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 109.965 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -149.16 174.34 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.496 1.519 . . . . 0.0 108.416 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.3 ttt -121.49 134.65 55.06 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.6 t -103.18 129.59 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -152.69 133.94 14.29 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.3 10.53 42.3 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.277 -0.735 . . . . 0.0 111.622 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 93.9 -20.88 0.08 Allowed 'General case' 0 N--CA 1.467 0.394 1 C-N-CA 132.101 4.16 . . . . 0.0 110.371 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -71.86 161.39 31.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 127.221 2.208 . . . . 0.0 110.438 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -110.65 125.25 53.24 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -130.95 146.65 52.42 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.006 0.923 . . . . 0.0 108.673 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.416 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 14.5 m80 -70.12 151.37 96.01 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -62.97 -43.26 20.28 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 121.391 1.394 . . . . 0.0 110.243 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 3.44 0.43 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.805 2.042 . . . . 0.0 114.29 179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -132.31 -8.64 3.34 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 124.438 1.095 . . . . 0.0 111.37 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.0 83.32 8.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 100.456 -3.905 . . . . 0.0 100.456 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.17 153.48 51.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.123 1.369 . . . . 0.0 113.647 -176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.563 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 42.1 t -63.48 123.32 18.48 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 103.45 -2.796 . . . . 0.0 103.45 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.4 mmm -58.02 -49.55 76.46 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 119.497 1.044 . . . . 0.0 112.543 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -61.38 -58.39 8.42 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' HG12 ' A' ' 49' ' ' VAL . 1.2 p -78.82 -19.15 52.8 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 60.84 48.61 6.72 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 126.065 1.746 . . . . 0.0 111.823 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.628 HG12 ' SG ' ' A' ' 47' ' ' CYS . 1.7 p -121.92 139.04 50.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -62.26 148.61 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.99 1.431 . . . . 0.0 107.689 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.0 mt -115.51 82.28 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -72.31 176.83 4.94 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.68 12.17 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.655 1.982 . . . . 0.0 115.71 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.72 -2.41 20.86 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.674 2.083 . . . . 0.0 113.057 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -127.59 136.09 51.18 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.77 110.81 22.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 124.221 1.008 . . . . 0.0 111.613 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -71.0 -179.74 2.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.342 1.457 . . . . 0.0 110.004 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -152.34 111.42 3.85 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 104.149 -2.537 . . . . 0.0 104.149 178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.7 mt -77.36 144.31 38.07 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.41 -1.329 . . . . 0.0 107.41 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.55 157.42 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 125.045 1.338 . . . . 0.0 107.925 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -52.59 -36.01 55.28 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.822 1.249 . . . . 0.0 112.025 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -87.74 143.99 26.86 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.28 69.37 0.09 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.597 1.559 . . . . 0.0 113.272 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -141.03 147.64 38.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.083 1.753 . . . . 0.0 106.356 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tp -108.73 141.7 40.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 120.848 -1.157 . . . . 0.0 109.737 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 162.36 35.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.823 1.249 . . . . 0.0 109.805 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 70' ' ' CYS . 0.5 OUTLIER -95.39 158.43 15.46 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 179.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.89 -43.87 92.48 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 119.619 1.099 . . . . 0.0 112.797 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -60.2 -50.14 74.85 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.206 1.003 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.42 ' HB2' ' SG ' ' A' ' 67' ' ' CYS 0.273 1.7 m -61.49 -43.31 99.1 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 125.436 1.494 . . . . 0.0 110.332 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.76 -50.66 68.19 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.959 1.254 . . . . 0.0 109.254 178.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -59.54 -26.89 65.72 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.981 1.312 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -79.22 -53.75 6.65 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.633 1.173 . . . . 0.0 109.513 179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.29 -38.85 83.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.58 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.15 -32.43 50.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 119.527 1.058 . . . . 0.0 110.817 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.5 p -79.15 2.85 19.44 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.2 -169.23 12.38 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -65.57 152.21 82.48 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.031 1.821 . . . . 0.0 111.195 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.35 166.42 31.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.833 1.653 . . . . 0.0 107.8 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.7 p -162.43 163.51 27.63 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 124.515 1.126 . . . . 0.0 108.17 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 O-C-N 121.049 -1.032 . . . . 0.0 111.67 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m -143.06 120.7 11.81 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 123.938 0.895 . . . . 0.0 108.945 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -130.98 164.09 26.12 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 125.793 1.637 . . . . 0.0 110.111 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.1 138.97 25.27 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 124.743 1.163 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.75 154.59 47.46 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.775 1.23 . . . . 0.0 109.988 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 m -101.54 165.96 10.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.211 1.404 . . . . 0.0 109.179 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.38 142.44 5.73 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 132.58 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 127.279 2.232 . . . . 0.0 105.551 178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -158.11 170.99 21.05 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 126.66 1.984 . . . . 0.0 108.474 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -163.66 136.85 5.45 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -78.96 153.22 30.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 122.92 0.488 . . . . 0.0 111.98 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.71 154.36 5.68 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 124.883 1.23 . . . . 0.0 110.119 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.0 168.8 25.21 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.691 0.796 . . . . 0.0 110.204 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -80.64 -55.47 4.82 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.847 1.259 . . . . 0.0 109.674 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.26 -166.43 16.1 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 126.806 2.146 . . . . 0.0 109.509 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -78.71 149.37 32.77 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -123.35 160.36 26.91 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.964 2.105 . . . . 0.0 108.683 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 40.0 t -84.85 107.27 16.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 115.519 -2.182 . . . . 0.0 105.963 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -52.68 -38.82 61.21 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 121.236 1.835 . . . . 0.0 109.378 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.12 -49.15 9.94 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 124.506 1.05 . . . . 0.0 110.674 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -109.33 -5.44 15.85 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 m 57.6 47.7 15.5 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.548 1.539 . . . . 0.0 110.95 -177.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.1 mt -141.2 154.57 45.88 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 126.094 1.758 . . . . 0.0 108.292 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.4 tp -59.08 161.56 5.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.801 1.641 . . . . 0.0 110.41 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.0 ptp -118.73 -37.33 3.28 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 p 55.72 -65.54 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.644 2.377 . . . . 0.0 113.849 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.7 -161.88 2.4 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 126.776 2.131 . . . . 0.0 112.814 179.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.43 167.94 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.702 2.268 . . . . 0.0 112.415 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 33.3 p90 -138.07 159.91 40.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 125.739 1.615 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.4 tpp -107.29 141.84 38.0 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 104.18 -2.526 . . . . 0.0 104.18 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -106.75 129.64 59.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.05 112.69 8.88 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.12 14.71 40.67 Favored Glycine 0 CA--C 1.526 0.728 0 CA-C-O 116.89 -2.061 . . . . 0.0 115.848 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 105.44 -15.92 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.956 1 C-N-CA 132.155 4.182 . . . . 0.0 110.039 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -76.34 161.95 28.3 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.577 1.151 . . . . 0.0 108.955 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 40.4 ttmt -126.21 123.66 38.69 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.328 1.051 . . . . 0.0 110.237 -178.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -135.01 161.2 35.97 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.059 0.943 . . . . 0.0 111.924 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -72.48 140.83 82.28 Favored Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 116.815 -1.954 . . . . 0.0 107.23 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.45 -43.82 31.35 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.286 2.657 . . . . 0.0 110.014 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.58 0.36 0.5 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.589 1.956 . . . . 0.0 113.641 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 m -132.42 -3.63 3.4 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.57 1.548 . . . . 0.0 111.398 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.38 91.08 6.22 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 102.437 -3.171 . . . . 0.0 102.437 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -137.58 155.14 49.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.567 0.747 . . . . 0.0 112.414 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 t -61.2 129.22 40.23 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.7 ttm -55.64 -47.52 76.49 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.6 t -69.89 -42.81 72.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -7.66 17.43 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 117.5 2.407 . . . . 0.0 117.5 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.8 mptt 62.18 5.77 1.61 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.0 p -65.44 138.64 22.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 120.415 1.462 . . . . 0.0 109.614 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.63 128.39 37.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.2 mt -87.84 136.36 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -111.82 168.5 9.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.851 1.26 . . . . 0.0 108.902 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.09 -20.62 64.22 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.69 57.95 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 126.504 2.002 . . . . 0.0 112.823 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -87.42 -162.2 0.78 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -153.43 135.11 14.46 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -120.2 -178.58 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.829 1.252 . . . . 0.0 111.733 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.35 132.01 22.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.004 1.722 . . . . 0.0 106.787 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.95 117.43 32.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 125.097 1.359 . . . . 0.0 109.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.4 t -93.03 158.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -47.39 -56.59 6.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.25 1.42 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -77.68 147.22 35.59 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.43 95.15 0.01 OUTLIER 'General case' 0 C--O 1.235 0.301 0 C-N-CA 127.07 2.148 . . . . 0.0 111.379 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.5 m -164.01 162.82 23.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 128.616 2.766 . . . . 0.0 106.284 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.82 128.82 23.56 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.821 1.248 . . . . 0.0 109.201 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -131.92 165.71 23.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 122.665 1.221 . . . . 0.0 110.495 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.85 145.3 24.49 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.76 -38.8 85.1 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 119.601 -0.555 . . . . 0.0 113.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -54.99 40.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.016 1.408 . . . . 0.0 111.567 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 90.4 m -74.93 -28.44 60.6 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.281 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -68.19 -27.86 66.76 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.187 1.358 . . . . 0.0 109.085 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -54.02 -33.87 58.39 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 123.812 0.845 . . . . 0.0 110.813 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.15 -36.03 82.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.572 1.149 . . . . 0.0 110.652 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.1 t -69.56 -31.75 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.427 1.491 . . . . 0.0 110.307 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 m -93.25 -20.97 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 119.111 0.869 . . . . 0.0 110.917 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 m -58.81 150.82 22.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.595 0.758 . . . . 0.0 109.59 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.84 -126.28 7.03 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 107.582 -2.207 . . . . 0.0 107.582 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.44 81.62 1.76 Allowed 'Trans proline' 0 N--CA 1.454 -0.804 0 C-N-CA 122.613 2.209 . . . . 0.0 111.159 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.6 t -78.0 155.74 30.55 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.8 m -78.23 67.24 4.0 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.431 -0.793 . . . . 0.0 110.617 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 N-CA-C 108.827 -1.709 . . . . 0.0 108.827 -179.584 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.906 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.1 p -147.22 145.76 29.57 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.809 -0.818 . . . . 0.0 109.93 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 p -172.25 164.15 5.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 126.373 1.869 . . . . 0.0 108.089 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 150.31 7.47 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -151.96 -176.2 5.55 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 123.826 0.85 . . . . 0.0 109.676 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -140.38 -97.21 0.15 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.38 151.94 12.72 Favored Glycine 0 N--CA 1.44 -1.071 0 C-N-CA 124.255 0.931 . . . . 0.0 111.074 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -167.3 169.82 12.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.376 2.27 . . . . 0.0 106.609 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 47.12 46.26 16.22 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.915 1.686 . . . . 0.0 111.52 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -76.1 -38.51 56.83 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 125.444 1.498 . . . . 0.0 111.367 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -67.65 169.18 9.86 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 119.245 0.93 . . . . 0.0 111.273 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.9 176.27 47.87 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-O 122.606 1.114 . . . . 0.0 113.521 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -98.55 -176.45 3.38 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 126.039 1.735 . . . . 0.0 106.383 178.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -87.35 54.97 3.33 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.2 -169.7 43.46 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 125.638 1.59 . . . . 0.0 111.753 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -122.75 138.27 54.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -129.19 153.89 47.3 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.845 -0.534 . . . . 0.0 110.9 -178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 t -75.24 110.38 9.53 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 102.995 -2.965 . . . . 0.0 102.995 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -47.97 -42.47 27.81 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 124.528 1.142 . . . . 0.0 109.212 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -38.84 -54.95 2.31 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.488 1.994 . . . . 0.0 112.17 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.372 0.7 OUTLIER -116.97 0.74 12.5 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.753 1.276 . . . . 0.0 114.207 178.44 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.28 -2.58 2.54 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 126.655 1.982 . . . . 0.0 114.035 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.3 mt -89.97 151.09 21.86 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 121.426 -0.796 . . . . 0.0 111.214 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.99 169.1 5.62 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 129.664 3.186 . . . . 0.0 110.455 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.93 154.65 49.04 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.398 1.479 . . . . 0.0 110.501 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.3 p -129.89 -8.59 4.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.387 1.075 . . . . 0.0 110.04 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.54 -163.01 18.62 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.832 2.158 . . . . 0.0 112.981 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -73.62 169.51 22.18 Favored 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 124.162 3.242 . . . . 0.0 111.268 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -143.51 173.7 11.41 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.209 1.003 . . . . 0.0 111.647 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.7 mtp -136.26 163.97 29.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.156 1.782 . . . . 0.0 107.054 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.2 t -129.23 129.48 67.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 123.387 0.675 . . . . 0.0 110.341 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -151.36 147.53 27.02 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.243 1.417 . . . . 0.0 108.764 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.46 54.52 Favored Glycine 0 C--N 1.335 0.504 0 CA-C-O 118.249 -1.306 . . . . 0.0 112.64 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . 0.32 11.0 pt-20 57.84 21.46 7.57 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.892 1.677 . . . . 0.0 112.275 -178.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -111.18 -178.3 3.42 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.762 2.025 . . . . 0.0 110.582 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.47 124.66 41.88 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.844 1.657 . . . . 0.0 107.748 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -138.8 169.97 16.83 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.072 0.949 . . . . 0.0 112.509 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -91.01 150.57 42.04 Favored Pre-proline 0 N--CA 1.47 0.542 0 CA-C-O 117.856 -1.069 . . . . 0.0 108.717 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -62.69 -38.63 48.63 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.573 2.182 . . . . 0.0 109.426 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -72.08 9.32 0.99 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.894 1.677 . . . . 0.0 112.36 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -138.07 15.54 2.84 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.606 1.162 . . . . 0.0 113.659 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -111.62 85.11 2.07 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.43 172.18 13.04 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.121 -0.987 . . . . 0.0 111.758 -177.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 12.0 t -85.46 124.37 31.97 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 116.702 -1.618 . . . . 0.0 106.952 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.3 tpp -57.92 -54.23 49.22 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 121.146 1.794 . . . . 0.0 109.206 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.65 -16.51 1.64 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 130.113 3.365 . . . . 0.0 115.896 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.688 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -140.44 -11.48 1.06 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.543 1.065 . . . . 0.0 113.604 -179.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 65.59 1.94 1.89 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.82 2.848 . . . . 0.0 114.75 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.688 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.1 p -66.37 144.21 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 110.226 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 33.2 mm -78.89 133.51 29.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.88 156.86 5.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -113.2 166.48 11.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.362 1.065 . . . . 0.0 109.377 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -67.26 -12.15 59.35 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -115.1 12.59 19.72 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 125.169 1.366 . . . . 0.0 111.257 178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -101.65 165.1 11.41 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.315 1.058 . . . . 0.0 110.673 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.93 122.59 26.32 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 125.184 1.394 . . . . 0.0 112.21 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -142.87 166.49 24.5 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.501 1.121 . . . . 0.0 110.587 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.41 116.41 6.41 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -89.4 142.71 27.42 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.72 160.14 41.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 C-N-CA 127.339 2.256 . . . . 0.0 107.455 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -51.85 171.51 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.031 0.933 . . . . 0.0 110.282 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 56.15 29.39 14.6 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.199 -0.938 . . . . 0.0 108.483 -178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 46.64 19.07 0.07 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.581 3.152 . . . . 0.0 114.226 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.9 m -69.87 125.1 25.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.9 tp -108.68 125.84 52.33 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.281 1.833 . . . . 0.0 110.353 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -122.92 166.82 14.42 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.462 1.105 . . . . 0.0 109.689 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.38 148.72 22.11 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -48.28 -41.97 24.48 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 118.698 0.681 . . . . 0.0 113.693 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -70.02 -59.78 2.7 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-O 122.908 1.337 . . . . 0.0 112.444 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . 0.306 63.8 m -65.02 -13.52 58.1 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 126.548 1.939 . . . . 0.0 111.735 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -87.48 -49.81 6.96 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 103.611 -2.737 . . . . 0.0 103.611 175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -52.3 -36.84 54.11 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.658 1.183 . . . . 0.0 111.263 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -55.96 -33.49 64.83 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.469 1.908 . . . . 0.0 111.826 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.3 t -77.39 -64.99 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.85 1.26 . . . . 0.0 108.625 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.9 p -51.65 -37.76 20.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.048 0.939 . . . . 0.0 113.057 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.6 m -79.77 55.29 2.01 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.294 0.569 . . . . 0.0 112.22 -178.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.75 -172.26 27.81 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 127.15 2.31 . . . . 0.0 109.25 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.44 113.99 3.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.073 2.515 . . . . 0.0 108.658 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.9 p -43.59 152.22 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.469 1.508 . . . . 0.0 114.24 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 m -121.94 166.83 13.85 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 124.345 1.058 . . . . 0.0 111.593 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 C-N-CA 124.594 1.092 . . . . 0.0 110.963 179.331 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.524 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -153.06 154.09 34.18 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 108.685 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -165.07 109.11 0.88 Allowed 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 121.733 -0.605 . . . . 0.0 109.878 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.04 146.29 33.34 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 108.751 -1.74 . . . . 0.0 108.751 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -157.77 100.06 1.74 Allowed 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 118.26 1.03 . . . . 0.0 109.072 179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -110.82 -21.26 12.15 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.727 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.57 101.8 0.08 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.029 -1.228 . . . . 0.0 110.029 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.6 137.45 11.23 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -157.86 147.76 20.22 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 125.788 1.635 . . . . 0.0 107.378 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -154.06 161.3 42.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.863 1.265 . . . . 0.0 108.356 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -91.87 -1.92 57.09 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.109 2.164 . . . . 0.0 114.661 -177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.11 75.46 0.12 Allowed Glycine 0 CA--C 1.524 0.613 0 C-N-CA 126.275 1.893 . . . . 0.0 117.005 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -85.03 -44.12 13.33 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.784 1.292 . . . . 0.0 111.249 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -66.36 -56.08 12.81 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.28 -172.54 14.43 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.704 1.621 . . . . 0.0 114.315 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -121.25 138.5 54.2 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.941 1.696 . . . . 0.0 110.239 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -103.18 148.89 25.22 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.21 -0.931 . . . . 0.0 110.829 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' HB2' ' CG ' ' A' ' 38' ' ' HIS . 4.5 t -70.82 110.29 5.5 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 101.444 -3.539 . . . . 0.0 101.444 177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -51.52 -35.14 39.23 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.499 1.5 . . . . 0.0 110.922 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.66 -33.24 48.18 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.329 -1.262 . . . . 0.0 112.291 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.7 p -131.4 -5.02 3.78 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 117.685 2.476 . . . . 0.0 117.685 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.0 m 62.57 25.78 15.33 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.171 1.351 . . . . 0.0 112.991 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 mt -111.81 146.74 37.12 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.899 1.28 . . . . 0.0 108.25 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.7 159.99 32.48 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 125.136 1.374 . . . . 0.0 112.036 -178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -123.32 146.52 47.85 Favored 'General case' 0 CA--C 1.517 -0.3 0 C-N-CA 124.611 1.164 . . . . 0.0 110.982 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.9 p -133.26 62.28 1.66 Allowed 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 127.335 2.254 . . . . 0.0 106.029 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.7 170.21 26.09 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.359 0.98 . . . . 0.0 110.851 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -67.27 169.46 15.31 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 124.722 3.615 . . . . 0.0 113.125 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -144.98 173.05 12.22 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.944 1.698 . . . . 0.0 110.111 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -94.56 142.32 27.58 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.877 1.671 . . . . 0.0 107.419 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.5 t -103.77 126.93 58.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 120.477 1.49 . . . . 0.0 111.076 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -172.17 170.13 5.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 125.203 1.401 . . . . 0.0 110.523 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 51.44 32.57 30.83 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-O 116.88 -2.067 . . . . 0.0 115.041 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 53.54 12.6 0.39 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 127.586 2.355 . . . . 0.0 115.563 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -128.87 -148.45 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.801 1.182 . . . . 0.0 110.29 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -143.31 132.04 22.59 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.025 1.73 . . . . 0.0 106.967 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -132.16 150.24 52.2 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 123.966 0.906 . . . . 0.0 109.477 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 18' ' ' CYS . 26.4 m170 -66.71 150.52 97.49 Favored Pre-proline 0 N--CA 1.468 0.474 0 C-N-CA 116.705 -1.998 . . . . 0.0 109.597 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.23 -40.27 83.85 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.907 3.071 . . . . 0.0 112.326 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.24 -4.19 46.54 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.031 -1.043 . . . . 0.0 113.454 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.11 11.15 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.722 1.209 . . . . 0.0 112.96 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -105.81 87.33 2.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.42 -3.178 . . . . 0.0 102.42 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.85 168.09 24.72 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 47.7 t -66.73 123.77 21.03 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.75 -35.65 63.98 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.05 -11.42 55.36 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.596 ' SG ' HG12 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -136.05 -10.0 2.02 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.886 1.675 . . . . 0.0 114.792 -178.667 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . 0.266 0.5 OUTLIER 62.88 3.48 1.22 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.796 2.038 . . . . 0.0 115.287 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG12 ' SG ' ' A' ' 47' ' ' CYS . 4.3 p -66.64 134.31 30.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.25 142.92 15.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.097 -1.446 . . . . 0.0 107.097 179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -103.55 106.86 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 101.644 -3.465 . . . . 0.0 101.644 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.98 159.46 28.52 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 123.02 0.528 . . . . 0.0 111.194 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.59 70.54 4.96 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 122.502 1.144 . . . . 0.0 107.948 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.04 -31.62 0.07 OUTLIER Glycine 0 CA--C 1.527 0.827 0 C-N-CA 128.136 2.779 . . . . 0.0 109.996 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -75.56 137.76 41.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 118.088 0.944 . . . . 0.0 108.87 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.46 139.63 53.99 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 125.794 1.637 . . . . 0.0 111.201 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -137.99 -177.31 4.76 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.884 1.673 . . . . 0.0 109.521 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -147.43 146.4 29.56 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 127.708 2.403 . . . . 0.0 105.954 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.59 121.39 42.45 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -93.95 158.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.568 1.147 . . . . 0.0 108.002 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -50.16 -35.1 24.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.931 1.292 . . . . 0.0 113.22 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -91.77 150.74 20.94 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.719 0.808 . . . . 0.0 109.713 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.1 68.53 0.12 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.862 1.665 . . . . 0.0 113.824 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.4 m -153.14 141.02 20.18 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 tp -108.65 146.59 33.17 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.04 0.936 . . . . 0.0 111.314 -178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -130.6 162.91 28.29 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.097 1.359 . . . . 0.0 108.392 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 44' ' ' CYS . 0.7 OUTLIER -93.07 154.27 18.21 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 178.433 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.5 -47.27 44.96 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.65 0.659 . . . . 0.0 112.983 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -63.23 -52.93 60.2 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.96 1.38 . . . . 0.0 110.34 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.52 -33.89 73.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.631 1.173 . . . . 0.0 112.44 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -68.89 -18.17 64.08 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 120.398 1.454 . . . . 0.0 110.434 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -89.13 -30.47 18.59 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.79 -26.86 66.31 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.914 -1.116 . . . . 0.0 111.245 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.6 m -79.91 -10.84 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 O-C-N 121.151 -0.968 . . . . 0.0 112.011 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -51.89 7.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 119.502 1.046 . . . . 0.0 108.591 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.1 m -49.81 113.6 0.88 Allowed 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.262 1.425 . . . . 0.0 112.744 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.13 -94.13 0.1 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-O 118.877 -0.957 . . . . 0.0 112.045 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.75 164.18 36.41 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.451 2.767 . . . . 0.0 111.775 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.8 t -77.22 154.36 33.13 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -144.86 33.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.369 1.468 . . . . 0.0 108.249 178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 N-CA-C 105.196 -3.162 . . . . 0.0 105.196 -178.528 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_