data_2lml_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 2lml _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo . . . . . 0 CA--C 1.548 1.175 0 CA-C-O 121.273 0.447 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -76.94 -57.05 4.07 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.277 -164.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.67 -40.21 53.04 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 119.127 0.876 . . . . 0.0 111.619 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.97 -53.79 51.14 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.239 1.016 . . . . 0.0 111.268 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.54 65.86 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.022 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.61 -28.23 26.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.626 0.771 . . . . 0.0 111.742 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -55.83 -47.34 98.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.944 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.78 -33.6 96.16 Favored 'Trans proline' 0 C--N 1.387 2.598 0 C-N-CA 121.98 1.786 . . . . 0.0 112.837 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.8 mm -68.07 -49.82 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.11 0.564 . . . . 0.0 110.455 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.47 -38.49 77.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -61.74 -31.59 71.77 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.821 0.449 . . . . 0.0 111.1 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -75.78 -53.67 8.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.451 0.3 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.63 -53.92 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.38 -1.72 57.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.668 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.98 75.05 0.23 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.194 1.397 . . . . 0.0 111.572 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.38 168.64 26.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.69 -171.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -127.14 -26.97 3.03 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.16 0.984 . . . . 0.0 110.303 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -86.13 -15.56 40.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.026 0.93 . . . . 0.0 112.135 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.21 111.98 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.3 125.71 74.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD11 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -80.03 135.17 36.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.497 0.665 . . . . 0.0 111.628 -174.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.18 163.97 27.36 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -67.73 -15.53 63.68 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.02 -15.84 20.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.63 0.772 . . . . 0.0 111.779 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -65.32 129.74 40.82 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.69 0.396 . . . . 0.0 110.313 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 p -132.27 -176.29 4.03 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.876 0.87 . . . . 0.0 109.683 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.78 70.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.293 0.637 . . . . 0.0 111.592 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -66.65 -26.23 66.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.153 0.581 . . . . 0.0 111.328 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.48 -21.55 41.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.238 0.615 . . . . 0.0 111.667 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.55 94.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.16 0.584 . . . . 0.0 110.134 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.48 94.04 1.24 Allowed 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 159.55 -41.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.493 1.917 . . . . 0.0 107.846 -166.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -77.25 115.55 17.12 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.119 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.82 -170.82 2.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.4 m -51.47 -51.84 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.722 1.209 . . . . 0.0 112.571 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -44.03 93.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.472 0.709 . . . . 0.0 110.336 -176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -73.28 -26.98 61.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.953 0.501 . . . . 0.0 111.899 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -68.52 -40.9 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.411 1.085 . . . . 0.0 110.28 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.3 mmm -68.4 -38.19 81.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.925 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.61 -39.95 90.05 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.429 0.692 . . . . 0.0 110.392 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.33 -51.19 64.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.905 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.66 -43.48 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.498 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.55 -26.83 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.743 0.701 . . . . 0.0 111.776 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 m -65.26 -40.33 93.81 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.954 0.502 . . . . 0.0 110.569 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.05 -34.33 73.09 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.352 0.261 . . . . 0.0 110.747 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 62.8 mm-40 -60.77 -49.54 77.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.227 1.011 . . . . 0.0 110.881 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -76.7 -46.81 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -68.03 -57.59 5.9 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.548 0.739 . . . . 0.0 112.459 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' HB2' HG12 ' A' ' 52' ' ' ILE . 93.8 m-85 -92.96 -5.84 49.81 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.752 0.421 . . . . 0.0 111.493 -175.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 12.7 mptt 66.57 19.79 10.83 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.6 1.16 . . . . 0.0 111.797 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 50' ' ' TYR . 28.9 pt -100.28 142.33 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.992 0.517 . . . . 0.0 110.558 -168.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -102.57 125.66 49.38 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.317 1.047 . . . . 0.0 110.861 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 98.2 m-85 -108.4 134.83 50.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.599 0.76 . . . . 0.0 109.261 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 146.56 24.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.3 tm? -60.58 -27.94 68.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.384 0.673 . . . . 0.0 110.3 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.25 -34.97 90.12 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 123.298 0.373 . . . . 0.0 112.708 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.5 mt-10 -79.97 -28.03 39.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.647 0.779 . . . . 0.0 110.584 176.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 62' ' ' LEU . 3.8 mm? -62.96 -35.22 79.41 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.503 0.721 . . . . 0.0 110.289 171.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.6 mm-40 -57.68 -24.67 57.9 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.392 0.677 . . . . 0.0 111.612 170.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -96.84 -11.76 24.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.201 1.0 . . . . 0.0 112.029 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 68' ' ' LEU . 85.6 mt -90.71 78.75 6.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.156 0.582 . . . . 0.0 110.365 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 1.8 tmtp? -86.81 -33.36 19.9 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -133.63 170.52 15.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.389 0.676 . . . . 0.0 109.941 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.431 HG11 HD11 ' A' ' 22' ' ' LEU . 41.5 t -69.44 -17.3 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 124.54 1.136 . . . . 0.0 110.729 174.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.65 86.74 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.98 -37.67 86.56 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.303 0.641 . . . . 0.0 110.172 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 62' ' ' LEU . 4.3 mm? -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.307 0.379 . . . . 0.0 110.62 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.96 89.14 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.315 0.579 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 49.6 m-20 -64.41 -58.01 7.68 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.296 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.621 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.6 mm? -61.54 -55.46 30.64 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.45 1.094 . . . . 0.0 111.236 -170.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.7 -47.24 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.467 1.107 . . . . 0.0 110.647 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.92 -34.81 77.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 69.1 mmtt -68.27 -34.95 77.12 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 73.1 mmtt -72.89 -37.33 67.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 0.0 110.313 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -29.9 69.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.219 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.27 84.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.093 0.557 . . . . 0.0 109.726 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.1 mmm180 -71.71 -16.97 62.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.812 0.445 . . . . 0.0 110.862 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.8 mmtt . . . . . 0 N--CA 1.479 0.994 0 C-N-CA 123.11 0.564 . . . . 0.0 112.046 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo . . . . . 0 CA--C 1.539 0.767 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 73' ' ' ASP . 82.4 p -64.08 -77.04 0.06 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.025 0.53 . . . . 0.0 111.918 -169.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.94 -36.14 82.44 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.52 -50.01 68.85 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.344 1.458 . . . . 0.0 112.904 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.68 40.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.418 0.687 . . . . 0.0 110.611 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 72' ' ' VAL . 96.8 mt -71.36 -35.04 70.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.54 0.336 . . . . 0.0 111.125 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.7 m -53.9 -51.29 78.21 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.929 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.22 -30.44 91.25 Favored 'Trans proline' 0 C--N 1.387 2.564 0 C-N-CA 122.318 2.012 . . . . 0.0 113.166 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.49 -47.38 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.663 0.385 . . . . 0.0 110.341 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.03 -40.27 78.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.291 0.636 . . . . 0.0 109.943 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.94 -33.87 65.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.542 0.737 . . . . 0.0 111.945 173.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -79.81 -56.2 4.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.041 0.537 . . . . 0.0 111.402 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 42' ' ' LEU . 48.2 t -56.99 -55.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.514 1.125 . . . . 0.0 111.941 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -83.77 -15.77 47.24 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.28 80.88 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.36 1.064 . . . . 0.0 110.777 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -176.67 114.85 0.11 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.485 1.114 . . . . 0.0 109.048 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -77.72 -9.12 58.83 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.87 0.468 . . . . 0.0 111.525 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -82.41 -12.29 57.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.302 0.641 . . . . 0.0 111.336 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.47 117.83 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.648 0.779 . . . . 0.0 110.715 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.89 98.53 4.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 65' ' ' VAL . 93.5 mt -66.33 143.53 57.12 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.623 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -128.09 -179.3 4.91 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -56.57 -55.56 32.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.116 0.566 . . . . 0.0 110.256 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.21 15.62 20.47 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.792 0.837 . . . . 0.0 112.035 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.3 m -65.17 140.44 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 159.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.506 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 99.7 p -166.42 -173.71 2.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.922 0.489 . . . . 0.0 110.278 -171.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -17.02 64.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -86.9 -37.75 17.36 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.256 0.622 . . . . 0.0 109.603 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.9 t70 -75.0 -18.47 60.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.551 0.741 . . . . 0.0 111.268 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -118.55 107.07 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.42 -38.29 90.59 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.781 0.832 . . . . 0.0 111.126 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -8.67 44.08 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.505 0.722 . . . . 0.0 112.843 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -74.33 111.51 9.57 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.439 ' H ' ' HB2' ' A' ' 38' ' ' SER . 20.9 t70 -117.13 169.23 9.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.205 1.402 . . . . 0.0 108.084 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -49.23 -53.6 20.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.712 0.805 . . . . 0.0 112.031 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -33.1 74.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.06 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.439 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 17.5 m -68.03 -35.48 78.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.318 0.647 . . . . 0.0 110.343 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.83 -41.44 91.78 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.937 0.895 . . . . 0.0 110.522 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -62.67 -41.62 99.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.44 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.6 -39.58 91.73 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.988 0.805 . . . . 0.0 110.493 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HA ' HG22 ' A' ' 14' ' ' VAL . 3.0 tm? -63.93 -51.51 64.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.412 0.685 . . . . 0.0 111.037 -177.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.38 -48.5 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.404 0.682 . . . . 0.0 110.435 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.58 -27.56 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -66.57 -39.65 88.59 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.513 0.508 . . . . 0.0 110.871 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.85 -36.16 77.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 7.3 mm-40 -64.84 -46.97 79.68 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.783 0.833 . . . . 0.0 111.267 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.98 -44.58 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -63.2 -59.15 5.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.916 0.486 . . . . 0.0 111.423 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -88.78 0.58 56.38 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.943 0.497 . . . . 0.0 111.12 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.293 0.0 OUTLIER 40.23 57.17 2.49 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.536 1.534 . . . . 0.0 112.596 -175.418 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 pt -115.62 -176.73 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.888 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -139.48 109.89 6.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.75 0.42 . . . . 0.0 110.827 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -86.7 139.88 30.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.278 0.631 . . . . 0.0 109.504 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.63 17.87 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -57.48 -37.04 72.27 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.513 0.725 . . . . 0.0 110.658 178.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.21 90.32 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 123.696 0.623 . . . . 0.0 112.988 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 71' ' ' LEU . 46.6 mt-10 -79.21 -20.59 47.92 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.067 0.947 . . . . 0.0 111.53 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.586 HD12 HD23 ' A' ' 56' ' ' LEU . 73.8 mt -77.01 -31.38 56.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.862 0.465 . . . . 0.0 109.776 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -67.57 -18.98 65.2 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.245 0.618 . . . . 0.0 111.423 171.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.16 -13.86 59.46 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.834 0.454 . . . . 0.0 110.915 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 68' ' ' LEU . 68.1 mt -92.84 88.81 6.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.142 0.577 . . . . 0.0 110.141 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' A' ' 64' ' ' ASN . 1.3 tmtp? -85.5 -37.5 19.63 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 172.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.404 HD21 ' HD2' ' A' ' 63' ' ' LYS . 6.1 p30 -142.41 174.64 10.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 22' ' ' LEU . 45.1 t -72.39 -17.38 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.62 1.168 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.1 90.64 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 168.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -71.2 -35.58 71.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.167 0.587 . . . . 0.0 110.591 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 62' ' ' LEU . 3.8 mm? -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 169.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.05 87.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.073 0.549 . . . . 0.0 110.081 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 39.7 m-20 -64.87 -51.62 61.03 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.714 175.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.73 -52.51 60.17 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.111 0.964 . . . . 0.0 110.662 -169.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.558 HG23 HD21 ' A' ' 7' ' ' LEU . 79.4 t -61.33 -35.9 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.815 0.846 . . . . 0.0 110.865 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.505 ' HB2' HG22 ' A' ' 3' ' ' THR . 19.7 t70 -69.62 -27.93 65.49 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.499 0.32 . . . . 0.0 111.238 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.5 mmmm -73.42 -28.26 61.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.704 0.402 . . . . 0.0 110.018 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 73.6 mmtt -74.99 -35.96 62.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.08 0.552 . . . . 0.0 109.978 172.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.4 mt -73.62 -20.23 60.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.397 0.679 . . . . 0.0 109.986 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.79 76.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.003 0.521 . . . . 0.0 109.877 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 36.2 mmt180 -69.1 -29.99 68.2 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.437 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 32.3 mmtp . . . . . 0 N--CA 1.484 1.261 0 C-N-CA 122.774 0.43 . . . . 0.0 110.768 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo . . . . . 0 CA--C 1.545 1.075 0 N-CA-C 112.545 0.171 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 40.7 p -68.48 -63.26 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 124.118 0.967 . . . . 0.0 113.16 -163.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -50.68 -41.37 55.67 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.565 0.746 . . . . 0.0 111.344 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.55 -48.93 68.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.029 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.1 73.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.449 0.7 . . . . 0.0 111.793 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.489 HD21 ' HH ' ' A' ' 50' ' ' TYR . 87.2 mt -80.76 -19.15 45.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.548 0.739 . . . . 0.0 110.426 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.497 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 32.6 m -55.56 -53.94 56.88 Favored Pre-proline 0 CA--C 1.57 1.732 0 CA-C-O 117.747 -1.12 . . . . 0.0 111.966 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 33.6 Cg_exo -61.0 -30.32 89.62 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 122.42 2.08 . . . . 0.0 113.156 175.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.35 -58.39 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.322 0.649 . . . . 0.0 110.374 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.26 -42.55 93.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.292 0.637 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.14 -36.41 70.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.905 0.482 . . . . 0.0 111.87 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -76.45 -51.97 10.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 122.318 -0.239 . . . . 0.0 111.154 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.412 HG11 HD21 ' A' ' 42' ' ' LEU . 53.9 t -53.77 -55.02 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.454 1.102 . . . . 0.0 112.123 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -80.34 -15.49 56.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.022 0.529 . . . . 0.0 111.317 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.12 74.84 0.42 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 124.705 1.202 . . . . 0.0 108.983 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -163.84 -175.53 4.13 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.667 -167.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.36 -28.6 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.845 0.858 . . . . 0.0 109.717 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 m -75.63 -14.4 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.709 0.804 . . . . 0.0 112.147 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.69 117.55 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.345 0.658 . . . . 0.0 109.833 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.22 109.79 27.68 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.17 128.32 35.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.666 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -126.73 165.95 18.3 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -31.75 68.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 122.759 0.424 . . . . 0.0 111.853 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.54 -17.65 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 65' ' ' VAL . 61.2 m -61.5 116.44 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.983 0.513 . . . . 0.0 111.77 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.4 p -126.22 -175.41 3.36 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.487 0.715 . . . . 0.0 109.711 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.11 63.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -78.61 -24.96 45.1 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.071 0.396 . . . . 0.0 110.866 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.8 -19.63 48.08 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.724 0.81 . . . . 0.0 111.268 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.92 109.07 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.62 -29.42 70.61 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.305 1.042 . . . . 0.0 111.527 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.63 -19.36 61.46 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -80.98 114.05 19.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.589 0.755 . . . . 0.0 110.354 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.42 176.87 5.66 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.178 1.391 . . . . 0.0 108.68 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -56.98 -34.0 67.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.46 0.704 . . . . 0.0 110.569 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -42.99 93.13 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.28 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 m -66.57 -29.59 69.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.657 0.383 . . . . 0.0 110.666 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -62.74 -44.1 97.08 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.71 0.631 . . . . 0.0 110.791 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.3 -42.04 76.91 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 120.849 0.357 . . . . 0.0 110.643 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -68.39 -35.27 77.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.281 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.412 HD21 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -58.87 -58.98 6.24 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.502 0.721 . . . . 0.0 110.628 176.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.05 -52.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.224 0.953 . . . . 0.0 110.366 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.29 -31.23 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 m -67.86 -43.72 78.78 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.786 0.434 . . . . 0.0 110.673 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.3 mt -66.86 -32.98 74.61 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.24 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 13.8 mm-40 -65.33 -57.63 7.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.152 0.981 . . . . 0.0 110.306 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.84 -38.01 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -171.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -72.78 -54.9 7.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.858 0.463 . . . . 0.0 112.11 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' HH ' HD21 ' A' ' 7' ' ' LEU . 80.2 m-85 -86.71 -17.19 34.27 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.618 ' HZ2' ' HB2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER 55.39 48.31 19.35 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.528 1.131 . . . . 0.0 110.342 -171.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 50' ' ' TYR . 17.7 pt -117.23 -176.29 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.949 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -126.52 123.5 37.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.473 0.709 . . . . 0.0 109.923 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CE2' HD11 ' A' ' 71' ' ' LEU . 96.7 m-85 -117.76 131.59 56.57 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 167.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB2' ' HG3' ' A' ' 58' ' ' GLU . . . -98.41 138.55 35.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 2.9 tm? -60.12 -27.64 67.21 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.484 0.714 . . . . 0.0 109.753 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.31 95.36 Favored Glycine 0 C--N 1.354 1.537 0 O-C-N 123.449 0.468 . . . . 0.0 113.036 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 42.8 mt-10 -66.58 -37.39 84.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.373 0.669 . . . . 0.0 110.082 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD11 HD13 ' A' ' 62' ' ' LEU . 4.4 mm? -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.565 0.746 . . . . 0.0 111.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 23.8 mm-40 -62.91 -28.67 70.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.768 0.427 . . . . 0.0 111.051 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -81.03 -18.66 45.99 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.502 0.721 . . . . 0.0 110.57 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.699 HD13 HD11 ' A' ' 59' ' ' LEU . 30.2 mt -91.89 107.8 19.47 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.214 0.605 . . . . 0.0 110.173 -173.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -83.92 -27.38 28.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.579 0.751 . . . . 0.0 111.734 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -159.8 -175.06 4.92 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 54.3 t -72.03 -13.11 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.483 1.113 . . . . 0.0 110.576 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.63 -36.59 48.13 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 169.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' HB3' HD22 ' A' ' 62' ' ' LEU . 13.4 m-20 -69.97 -35.91 74.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.928 0.491 . . . . 0.0 110.261 171.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm? -65.79 -32.95 74.77 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.471 0.482 . . . . 0.0 110.174 169.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.71 88.1 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 55.0 m-20 -59.36 -58.2 9.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.262 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.525 1.13 . . . . 0.0 111.786 -164.352 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.401 HG21 ' HZ ' ' A' ' 54' ' ' PHE . 95.8 t -60.74 -40.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.168 0.587 . . . . 0.0 110.558 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.92 -31.1 71.47 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.246 0.218 . . . . 0.0 111.004 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 70.3 mmtt -63.62 -43.69 96.12 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.65 0.594 . . . . 0.0 109.575 177.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -68.2 -46.84 69.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.334 0.654 . . . . 0.0 110.36 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.35 -23.71 64.72 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 0.0 111.206 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.39 -41.47 76.42 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.373 0.669 . . . . 0.0 110.965 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.7 mmt180 -73.76 -29.94 62.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.278 0.631 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.684 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo . . . . . 0 CA--C 1.54 0.813 0 N-CA-C 110.787 -0.505 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 m -61.54 -50.45 72.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.857 0.863 . . . . 0.0 112.284 -161.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.23 -53.16 61.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.426 0.69 . . . . 0.0 111.5 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.79 -29.11 63.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.698 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.46 71.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.241 0.616 . . . . 0.0 110.928 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.72 -28.87 62.92 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.543 0.737 . . . . 0.0 110.123 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -54.48 -48.31 95.3 Favored Pre-proline 0 CA--C 1.57 1.737 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -172.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.48 -26.3 76.3 Favored 'Trans proline' 0 C--N 1.394 2.952 0 C-N-CA 122.444 2.096 . . . . 0.0 113.436 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.62 -48.99 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-O 121.508 0.67 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.25 -42.28 72.4 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.294 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.484 HH21 HG22 ' A' ' 21' ' ' VAL . 96.6 mtt180 -58.56 -42.35 87.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 0.0 111.226 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.02 -49.03 79.46 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.003 0.815 . . . . 0.0 110.485 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.414 HG22 HD11 ' A' ' 42' ' ' LEU . 67.8 t -54.88 -52.72 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.171 0.988 . . . . 0.0 112.078 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.37 1.88 56.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -172.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 58.2 21.45 8.1 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.516 1.127 . . . . 0.0 111.036 -174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.77 172.87 6.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.93 0.892 . . . . 0.0 110.412 -169.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -144.0 -22.19 0.57 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.716 0.807 . . . . 0.0 110.871 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.9 m -76.49 -17.94 59.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.737 0.815 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 31' ' ' ILE . 64.6 mt -69.06 106.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG22 HH21 ' A' ' 12' ' ' ARG . 77.1 t -118.23 111.76 35.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.558 HD13 HG11 ' A' ' 65' ' ' VAL . 74.6 mt -73.11 140.13 46.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.762 0.791 . . . . 0.0 111.837 -171.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 172.17 13.07 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.541 -1.663 . . . . 0.0 106.882 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.07 -28.62 64.72 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 9.08 12.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.0 m -60.17 134.51 57.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 168.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.442 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 88.9 p -154.96 176.47 12.48 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.525 0.678 . . . . 0.0 111.296 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.75 -10.29 59.53 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.676 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -95.51 -32.42 12.87 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.677 0.791 . . . . 0.0 109.052 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.1 t70 -64.6 -26.71 68.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.955 1.302 . . . . 0.0 112.446 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 20' ' ' ILE . 75.6 mt -125.89 126.04 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.454 0.702 . . . . 0.0 110.005 -172.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.25 -35.07 77.35 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.022 0.929 . . . . 0.0 111.567 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.73 -15.63 63.01 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.909 0.883 . . . . 0.0 112.448 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -89.65 123.75 33.97 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.52 0.728 . . . . 0.0 109.603 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.19 139.55 50.63 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.766 1.226 . . . . 0.0 110.505 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -36.09 -61.33 0.5 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.005 1.722 . . . . 0.0 114.014 170.673 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.72 -29.02 69.83 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.458 0.703 . . . . 0.0 112.062 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -74.1 -18.27 60.83 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.046 0.539 . . . . 0.0 111.904 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.476 ' HA ' HD22 ' A' ' 42' ' ' LEU . 23.4 m-70 -52.0 -36.16 49.05 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.301 171.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.7 mmm -61.51 -31.64 71.64 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.69 -35.63 81.65 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.641 0.588 . . . . 0.0 110.49 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.9 mm? -65.13 -54.71 25.66 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.738 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -51.46 -57.95 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 124.369 1.043 . . . . 0.0 110.313 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.78 -33.79 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.43 0.456 . . . . 0.0 112.014 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -70.34 -38.81 74.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.117 0.567 . . . . 0.0 111.643 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 50.4 mt -70.35 -36.94 74.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.956 0.502 . . . . 0.0 110.007 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 11.0 mm-40 -61.34 -52.1 66.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.366 1.066 . . . . 0.0 110.74 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.03 -43.33 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -67.74 -48.23 67.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.188 0.595 . . . . 0.0 111.2 -177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.05 -5.2 48.01 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HZ1' ' HB2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 60.73 27.13 16.89 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.595 1.158 . . . . 0.0 110.932 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 pt -100.53 177.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -148.04 106.43 3.77 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.702 0.287 . . . . 0.0 111.135 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.66 141.36 30.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.286 0.634 . . . . 0.0 109.574 172.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.66 159.87 15.65 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 162.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -62.13 -26.3 68.23 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.064 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.21 -33.86 88.39 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 120.251 -0.194 . . . . 0.0 112.908 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 5.1 mm-40 -69.17 -42.14 76.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.292 0.637 . . . . 0.0 109.543 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 62' ' ' LEU . 4.0 mm? -54.23 -45.85 72.4 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.576 1.151 . . . . 0.0 111.498 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 19.1 mm-40 -55.02 -26.21 35.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.206 1.002 . . . . 0.0 112.768 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -97.49 -9.02 27.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.549 0.74 . . . . 0.0 111.951 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 59' ' ' LEU . 75.2 mt -83.79 89.46 7.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.303 0.641 . . . . 0.0 109.452 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 4.9 ttmp? -87.92 -33.48 18.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.115 0.566 . . . . 0.0 110.391 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -141.13 176.17 9.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.162 0.985 . . . . 0.0 108.93 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.558 HG11 HD13 ' A' ' 22' ' ' LEU . 61.2 t -69.58 -16.41 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 124.459 1.104 . . . . 0.0 111.263 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.98 90.61 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.12 -41.6 97.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.396 0.678 . . . . 0.0 110.629 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.74 -45.58 85.63 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.57 73.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.096 0.558 . . . . 0.0 110.99 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 14.6 t70 -66.0 -60.96 2.32 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.969 0.793 . . . . 0.0 110.462 174.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.86 -46.2 82.88 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.699 0.399 . . . . 0.0 112.008 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.94 -44.68 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.569 0.748 . . . . 0.0 110.099 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.97 -41.55 92.2 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.633 0.773 . . . . 0.0 112.19 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 39.2 mmtm -67.76 -39.13 84.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 123.652 0.595 . . . . 0.0 111.175 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.44 -26.28 38.46 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.683 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -18.65 42.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.555 0.742 . . . . 0.0 110.928 171.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.59 -34.66 72.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.982 0.513 . . . . 0.0 109.845 166.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -77.39 -27.93 52.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.801 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 122.894 0.477 . . . . 0.0 110.836 177.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo . . . . . 0 CA--C 1.533 0.457 0 N-CA-C 110.944 -0.445 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 57.1 p -63.66 -63.82 1.07 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.045 -171.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.414 HD11 ' HG2' ' A' ' 24' ' ' ARG . 87.8 mt -60.62 -39.77 89.41 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.528 0.731 . . . . 0.0 110.75 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.44 -41.77 76.99 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.106 0.962 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.25 -34.18 49.23 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 0.0 111.158 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 HG22 ' A' ' 72' ' ' VAL . 93.2 mt -71.15 -32.9 69.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.089 0.556 . . . . 0.0 111.175 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -53.39 -54.75 41.87 Favored Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.512 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.04 -25.55 51.38 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 122.253 1.968 . . . . 0.0 113.19 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 14' ' ' VAL . 45.4 mm -65.56 -52.28 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.768 0.427 . . . . 0.0 109.867 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.42 -40.57 96.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.34 -28.55 69.3 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.092 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -78.08 -53.31 7.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.989 0.515 . . . . 0.0 110.494 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 42' ' ' LEU . 62.7 t -51.78 -56.28 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.724 1.21 . . . . 0.0 112.47 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.39 -12.42 56.5 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.634 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.76 64.6 1.14 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.779 1.232 . . . . 0.0 110.088 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -164.3 118.58 1.44 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -8.61 58.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.656 0.782 . . . . 0.0 110.604 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 m -79.5 -11.19 59.9 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.664 0.386 . . . . 0.0 111.561 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.85 117.72 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.287 0.635 . . . . 0.0 110.594 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.65 106.55 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 65' ' ' VAL . 84.7 mt -77.05 141.83 40.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 111.528 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 p -122.73 177.03 5.63 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 164.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HG2' HD11 ' A' ' 4' ' ' LEU . 42.7 mtm180 -68.61 -45.86 70.82 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 122.144 -0.348 . . . . 0.0 110.837 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.09 5.95 8.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 65' ' ' VAL . 97.9 m -63.32 95.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.855 0.862 . . . . 0.0 111.191 173.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -92.04 177.02 6.29 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -14.17 42.09 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.1 -30.8 55.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.889 0.876 . . . . 0.0 110.523 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.88 -31.2 69.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.963 0.905 . . . . 0.0 111.199 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.58 110.61 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -67.37 -26.44 66.47 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.271 0.628 . . . . 0.0 111.846 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.35 60.0 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.145 0.578 . . . . 0.0 112.357 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -82.89 70.99 9.99 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.387 0.675 . . . . 0.0 110.734 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.97 167.27 21.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.306 1.042 . . . . 0.0 109.74 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -52.89 -37.51 60.65 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.136 0.974 . . . . 0.0 111.98 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.06 -39.04 93.21 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 110.114 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -31.36 70.79 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.506 0.722 . . . . 0.0 110.997 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -60.98 -42.07 97.67 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.505 0.722 . . . . 0.0 110.839 170.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.2 mmm -61.49 -46.52 89.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.572 0.545 . . . . 0.0 110.61 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.66 -42.86 93.81 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.8 tm? -62.82 -48.39 79.27 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.657 1.183 . . . . 0.0 111.109 -177.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 30.4 mm -69.85 -47.79 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.877 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.87 -24.96 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.115 0.416 . . . . 0.0 111.986 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -65.62 -46.33 79.71 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.606 168.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.0 -36.71 84.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.65 0.38 . . . . 0.0 110.943 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 8.9 mm-40 -62.16 -54.15 45.23 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.982 0.913 . . . . 0.0 110.369 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.01 -44.21 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -66.38 -54.56 22.97 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.149 0.579 . . . . 0.0 112.141 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -92.56 -4.92 52.7 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? 62.2 27.77 16.67 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.425 1.09 . . . . 0.0 111.172 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 pt -102.46 -176.38 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.453 0.701 . . . . 0.0 111.203 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -133.19 132.95 42.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.869 0.868 . . . . 0.0 110.286 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 97.7 m-85 -128.23 142.6 51.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.302 0.641 . . . . 0.0 109.388 164.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.14 153.01 22.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.96 -28.77 68.54 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.3 94.6 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 123.306 0.379 . . . . 0.0 112.466 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.9 mt-10 -66.09 -40.62 90.93 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.133 0.573 . . . . 0.0 110.141 174.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.41 HD11 HD13 ' A' ' 43' ' ' ILE . 4.5 mm? -58.45 -35.54 72.31 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.306 1.042 . . . . 0.0 112.34 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.599 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -69.68 -23.68 63.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.81 0.444 . . . . 0.0 111.397 178.122 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.42 -9.76 31.81 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 0.0 111.37 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.575 HD22 ' HG ' ' A' ' 71' ' ' LEU . 98.2 mt -88.43 102.66 15.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -89.68 -27.86 19.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.993 0.517 . . . . 0.0 110.035 -175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -157.84 178.94 9.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.036 0.534 . . . . 0.0 111.982 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 22' ' ' LEU . 41.9 t -68.02 -16.75 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.454 1.101 . . . . 0.0 111.315 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -38.02 56.97 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 34.2 m-20 -63.84 -41.33 97.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 169.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.78 -31.37 72.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.066 0.546 . . . . 0.0 111.718 174.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -51.17 67.43 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.664 0.665 . . . . 0.0 109.811 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 12.5 m-20 -65.69 -41.04 92.88 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.926 176.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.575 ' HG ' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.59 -55.05 9.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.269 0.628 . . . . 0.0 110.535 -170.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.505 HG22 HD21 ' A' ' 7' ' ' LEU . 95.6 t -54.85 -37.14 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.667 0.787 . . . . 0.0 110.334 174.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.52 -40.55 97.11 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.252 0.621 . . . . 0.0 111.431 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.7 mmmm -64.43 -39.91 94.74 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.474 0.484 . . . . 0.0 109.702 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 71.5 mmtt -68.51 -45.84 71.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.849 0.86 . . . . 0.0 110.539 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.76 -36.72 85.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.671 0.788 . . . . 0.0 110.504 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.59 81.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.648 0.779 . . . . 0.0 110.97 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.27 -34.66 73.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.171 0.588 . . . . 0.0 111.238 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.6 mmtt . . . . . 0 N--CA 1.488 1.463 0 C-N-CA 123.688 0.795 . . . . 0.0 111.922 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 CA--C 1.545 1.038 0 CA-C-O 120.95 0.312 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.519 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 31.3 p -62.03 -75.74 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.983 0.913 . . . . 0.0 112.731 -168.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.74 -30.03 71.18 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.815 0.446 . . . . 0.0 110.432 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -55.12 -42.83 73.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.906 0.882 . . . . 0.0 111.59 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.35 20.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.623 0.769 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.02 -39.39 66.02 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.715 0.406 . . . . 0.0 111.65 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -56.57 -50.17 89.34 Favored Pre-proline 0 N--CA 1.485 1.294 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.256 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.99 -27.31 74.24 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 121.779 1.653 . . . . 0.0 113.233 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -70.35 -41.79 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.49 -42.67 87.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.397 0.679 . . . . 0.0 110.363 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.99 -25.19 67.48 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.967 0.507 . . . . 0.0 111.475 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.4 -60.73 1.99 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.199 0.6 . . . . 0.0 111.234 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.21 -44.17 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 124.43 1.092 . . . . 0.0 111.534 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -90.39 -17.56 27.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.093 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.07 80.77 0.17 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.207 1.003 . . . . 0.0 110.841 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.43 108.91 0.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.2 -17.66 61.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.368 0.667 . . . . 0.0 111.891 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -79.24 -6.52 56.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.19 -0.319 . . . . 0.0 111.121 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.51 109.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 172.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.32 101.27 11.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD12 HG11 ' A' ' 65' ' ' VAL . 83.6 mt -71.14 135.11 47.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.053 0.454 . . . . 0.0 111.871 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.2 p -130.22 157.5 42.32 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.0 -29.02 70.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.26 15.36 29.02 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -70.35 132.61 45.91 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 167.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -130.46 -175.01 3.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.577 0.626 . . . . 0.0 110.083 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.69 64.39 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.25 -36.89 61.23 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.32 -9.66 59.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.395 0.678 . . . . 0.0 111.518 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -125.84 106.25 15.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.53 -38.66 69.54 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.541 1.136 . . . . 0.0 112.914 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 12.37 22.5 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.242 0.617 . . . . 0.0 112.483 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -88.03 74.84 8.83 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.307 0.575 . . . . 0.0 109.513 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.32 162.68 24.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.187 0.995 . . . . 0.0 111.151 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -35.19 64.25 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.144 0.978 . . . . 0.0 110.922 173.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.69 -35.97 73.06 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.249 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -65.75 -35.43 80.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -54.55 -48.28 72.23 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 123.975 0.797 . . . . 0.0 110.978 170.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.1 mmm -59.37 -43.29 92.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.13 0.572 . . . . 0.0 111.259 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -67.84 -44.44 77.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.888 0.875 . . . . 0.0 111.383 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.59 -43.95 88.14 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.99 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.659 1.183 . . . . 0.0 110.846 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.93 -29.63 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 O-C-N 123.485 0.49 . . . . 0.0 111.457 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -61.1 -46.51 90.3 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.198 0.599 . . . . 0.0 110.796 173.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 52.0 mt -65.36 -42.14 93.1 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.8 -51.14 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.89 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.49 -40.82 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.14 -50.27 49.39 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.493 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 89.3 m-85 -82.88 -8.93 59.53 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.32 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 67.45 26.29 8.32 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.052 1.341 . . . . 0.0 111.205 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 pt -101.38 171.27 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.202 1.001 . . . . 0.0 110.412 -175.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -145.99 131.38 18.62 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.033 0.533 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.553 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -131.68 157.04 44.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.293 1.037 . . . . 0.0 110.134 174.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.34 156.8 17.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.11 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -25.59 65.8 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.45 0.7 . . . . 0.0 109.322 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.99 92.84 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 116.691 -0.231 . . . . 0.0 112.685 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 46.5 mt-10 -72.51 -28.65 63.01 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.325 0.65 . . . . 0.0 110.873 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.686 HD12 HD11 ' A' ' 62' ' ' LEU . 4.3 mm? -68.85 -30.4 68.92 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.705 0.802 . . . . 0.0 111.048 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.39 -22.34 61.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.585 0.354 . . . . 0.0 110.585 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.57 -5.48 58.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.527 0.731 . . . . 0.0 111.44 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 59' ' ' LEU . 25.8 mt -103.78 126.15 50.72 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -109.23 -26.09 10.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -135.07 173.87 11.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.421 0.688 . . . . 0.0 111.478 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.484 HG11 HD12 ' A' ' 22' ' ' LEU . 39.7 t -64.9 -31.6 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.871 1.269 . . . . 0.0 110.576 172.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.93 79.93 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.274 0.359 . . . . 0.0 112.278 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.98 -41.64 86.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.915 0.486 . . . . 0.0 109.746 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.35 -27.73 65.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.969 0.908 . . . . 0.0 111.429 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.519 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -73.46 -45.92 51.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.903 0.881 . . . . 0.0 108.969 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 16.4 t70 -60.85 -36.8 80.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.096 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 62' ' ' LEU . 2.6 tm? -63.65 -55.12 25.97 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.241 1.017 . . . . 0.0 109.973 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 84.6 t -59.28 -36.97 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 123.835 0.709 . . . . 0.0 109.67 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.58 -42.72 97.25 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.764 1.225 . . . . 0.0 111.587 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 42.9 mmtm -69.76 -33.97 73.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.758 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 74.3 mmtt -71.01 -40.98 71.48 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.733 0.813 . . . . 0.0 110.423 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 94.7 mt -64.47 -31.99 73.44 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.03 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.31 73.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.115 0.566 . . . . 0.0 110.783 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 29.6 mmt180 -64.42 -24.42 67.62 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.597 0.359 . . . . 0.0 110.329 173.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 62.9 mttm . . . . . 0 N--CA 1.482 1.162 0 C-N-CA 123.671 0.789 . . . . 0.0 110.991 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.542 0.913 0 CA-C-O 121.609 0.587 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -66.51 -28.0 68.21 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -170.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.88 -52.12 4.75 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.348 0.659 . . . . 0.0 109.79 168.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.57 -51.22 70.83 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.714 1.206 . . . . 0.0 113.678 -169.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.61 79.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.536 0.735 . . . . 0.0 110.746 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.436 HD11 HG21 ' A' ' 72' ' ' VAL . 41.5 mt -75.86 -24.46 55.75 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.084 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -56.05 -48.81 96.01 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.51 -173.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 -24.31 77.28 Favored 'Trans proline' 0 C--N 1.398 3.142 0 C-N-CA 122.653 2.235 . . . . 0.0 113.487 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.95 -43.91 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.498 0.719 . . . . 0.0 109.587 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.422 ' HD1' ' O ' ' A' ' 7' ' ' LEU . 22.1 m-85 -69.08 -41.99 76.79 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.053 0.541 . . . . 0.0 109.886 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.33 -25.96 68.54 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.121 0.568 . . . . 0.0 111.768 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -75.14 -55.49 5.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.056 0.543 . . . . 0.0 110.249 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.3 t -62.56 -53.97 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.974 . . . . 0.0 111.72 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -89.04 -13.09 39.52 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.542 0.737 . . . . 0.0 111.824 -173.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 54.75 66.29 1.27 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.93 1.292 . . . . 0.0 110.79 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -154.44 101.43 2.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.752 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.93 -10.35 59.71 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 0.0 111.825 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 p -86.95 1.19 53.53 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.096 -0.377 . . . . 0.0 110.932 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.62 107.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.71 102.5 12.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 65' ' ' VAL . 69.1 mt -65.95 139.26 58.23 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.924 0.868 . . . . 0.0 112.14 -167.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 p -125.44 168.8 13.1 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -68.48 -21.54 64.61 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.61 -4.93 46.87 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -59.74 111.15 1.34 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.8 0.44 . . . . 0.0 110.541 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 4.1 m -126.49 173.89 9.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.17 0.588 . . . . 0.0 110.297 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.25 92.15 8.97 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.599 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 8.5 t30 158.81 -63.76 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -146.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.43 -14.21 59.75 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.744 1.218 . . . . 0.0 111.558 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.16 121.77 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.68 -35.25 62.77 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.263 1.025 . . . . 0.0 111.236 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 -5.07 42.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.985 0.914 . . . . 0.0 112.774 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -87.06 71.78 10.14 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.995 0.918 . . . . 0.0 109.695 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.64 167.2 13.54 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.595 1.158 . . . . 0.0 111.777 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -46.98 -57.82 4.61 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.982 1.313 . . . . 0.0 112.082 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.3 -34.12 75.58 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.293 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -64.28 -40.23 95.55 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 110.137 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.53 -42.41 98.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.639 1.176 . . . . 0.0 110.927 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -66.5 -35.52 80.45 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.132 0.573 . . . . 0.0 110.924 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.55 -37.55 87.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 124.051 0.845 . . . . 0.0 109.934 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.3 tm? -65.23 -45.5 84.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.333 0.653 . . . . 0.0 110.646 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.718 HG12 HD13 ' A' ' 59' ' ' LEU . 1.6 mp -62.0 -48.94 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.199 0.6 . . . . 0.0 110.839 -178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.3 -21.85 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.505 0.322 . . . . 0.0 111.793 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -64.87 -44.47 89.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.721 0.408 . . . . 0.0 110.917 170.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.95 -33.44 76.04 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.623 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.52 -53.19 55.76 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.153 0.981 . . . . 0.0 111.145 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.95 -42.75 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -67.17 -62.86 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.373 0.669 . . . . 0.0 111.572 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.444 ' HB2' HG12 ' A' ' 52' ' ' ILE . 97.3 m-85 -92.31 -10.65 37.59 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -167.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 64.47 21.43 12.46 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.212 1.005 . . . . 0.0 111.615 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 50' ' ' TYR . 19.6 pt -97.33 133.67 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -97.65 111.35 23.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.767 1.227 . . . . 0.0 109.356 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -95.15 131.08 41.56 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.83 149.43 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 tm? -59.7 -29.51 68.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.405 0.682 . . . . 0.0 110.571 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.02 -44.77 97.78 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 48.6 mt-10 -68.56 -30.62 69.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.617 0.767 . . . . 0.0 110.601 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.718 HD13 HG12 ' A' ' 43' ' ' ILE . 2.6 mm? -60.63 -44.36 96.45 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.477 1.111 . . . . 0.0 111.067 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.14 -13.98 62.13 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.949 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -99.46 -6.36 27.75 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.95 0.9 . . . . 0.0 111.729 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 96.0 mt -84.77 103.43 13.84 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.41 -36.55 14.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.108 0.563 . . . . 0.0 110.07 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.443 HD21 ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -150.06 -179.09 6.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.931 -176.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 22' ' ' LEU . 60.5 t -70.24 -14.74 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.364 1.065 . . . . 0.0 110.645 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.18 96.55 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 168.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' H ' HD21 ' A' ' 64' ' ' ASN . 23.7 m-20 -68.38 -42.11 79.6 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.056 0.542 . . . . 0.0 109.817 174.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.61 -37.64 79.14 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.79 98.68 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.66 0.384 . . . . 0.0 110.581 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -64.69 -51.13 64.09 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.749 0.82 . . . . 0.0 110.565 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.7 -54.29 20.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.558 0.743 . . . . 0.0 110.932 -172.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 7' ' ' LEU . 95.6 t -52.99 -42.69 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.86 0.864 . . . . 0.0 110.856 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.04 -42.38 97.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.234 0.613 . . . . 0.0 111.197 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 31.6 mmtp -63.26 -41.68 99.06 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.578 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 62.9 mttm -75.33 -36.88 60.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.519 0.728 . . . . 0.0 110.606 -175.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.18 -34.03 76.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.866 0.467 . . . . 0.0 110.405 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.71 79.27 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.516 0.726 . . . . 0.0 110.977 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.5 mmm180 -73.93 -33.92 64.13 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.078 0.551 . . . . 0.0 110.167 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.2 mmtt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo . . . . . 0 CA--C 1.543 0.934 0 N-CA-C 112.504 0.156 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -63.71 -73.95 0.11 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.827 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.541 HD21 HD11 ' A' ' 7' ' ' LEU . 70.9 mt -59.36 -32.64 70.3 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.723 0.692 . . . . 0.0 111.375 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.39 -46.34 69.63 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.035 0.934 . . . . 0.0 111.592 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.42 -12.53 27.63 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.753 0.821 . . . . 0.0 112.113 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 4' ' ' LEU . 55.7 mt -80.76 -40.94 24.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.984 0.514 . . . . 0.0 110.043 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -52.23 -49.17 86.32 Favored Pre-proline 0 CA--C 1.571 1.779 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.209 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.94 -31.84 94.26 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.022 1.815 . . . . 0.0 113.146 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -70.54 -47.2 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 123.162 0.585 . . . . 0.0 110.668 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.15 -44.7 75.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.648 0.779 . . . . 0.0 109.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' ASP . 98.0 mtt180 -69.54 -16.86 63.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.005 0.522 . . . . 0.0 111.878 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -77.27 -56.38 4.61 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.97 0.508 . . . . 0.0 110.15 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG12 HD21 ' A' ' 42' ' ' LEU . 55.1 t -57.69 -51.2 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.085 1.354 . . . . 0.0 111.959 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -88.56 -24.13 22.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.606 0.763 . . . . 0.0 111.473 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 36.7 t70 59.34 58.82 2.87 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.105 0.962 . . . . 0.0 110.714 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -156.19 119.75 4.34 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.135 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.33 -23.68 54.27 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.321 1.048 . . . . 0.0 111.586 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -62.83 -23.43 67.27 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.855 0.462 . . . . 0.0 111.196 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.79 105.39 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.074 0.95 . . . . 0.0 110.106 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.13 120.7 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.3 137.23 33.1 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.025 0.44 . . . . 0.0 111.157 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -135.7 176.81 8.34 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 166.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.34 -8.34 56.4 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.1 -9.0 16.29 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.149 0.58 . . . . 0.0 111.671 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -65.56 100.47 0.51 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -88.85 169.95 11.15 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.87 70.44 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.59 -22.96 62.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.119 0.968 . . . . 0.0 109.989 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.28 -15.35 58.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.595 0.758 . . . . 0.0 111.331 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.77 96.2 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.081 0.952 . . . . 0.0 109.183 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -75.83 92.04 3.03 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 164.74 -37.55 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.682 1.593 . . . . 0.0 108.228 -164.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.41 124.25 27.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.216 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -129.48 -179.94 5.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.944 1.297 . . . . 0.0 108.837 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -27.24 68.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.237 0.615 . . . . 0.0 109.904 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.85 -43.69 78.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.992 0.917 . . . . 0.0 109.95 173.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -61.21 -36.62 80.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.058 0.543 . . . . 0.0 110.722 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.407 ' O ' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.68 -45.98 77.68 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.06 0.85 . . . . 0.0 110.985 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.3 -41.75 94.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.03 0.532 . . . . 0.0 111.133 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.94 -43.85 94.6 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 124.266 0.979 . . . . 0.0 110.676 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 2.0 mm? -56.71 -62.13 1.94 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.264 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.98 -50.41 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.227 0.954 . . . . 0.0 110.838 -172.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.52 -34.82 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-N 118.513 0.597 . . . . 0.0 112.223 -176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -69.56 -41.54 75.73 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.036 0.446 . . . . 0.0 110.401 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.0 mt -69.29 -31.06 69.3 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.408 0.683 . . . . 0.0 111.422 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 40.6 mm-40 -60.85 -59.41 5.43 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.287 1.035 . . . . 0.0 109.504 175.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.43 -36.88 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.864 -170.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -68.33 -54.42 17.55 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.828 0.451 . . . . 0.0 112.154 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.93 -16.01 39.81 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.54 44.25 18.09 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.748 1.219 . . . . 0.0 111.146 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.07 165.91 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.176 0.59 . . . . 0.0 110.177 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.71 104.45 13.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.146 0.979 . . . . 0.0 110.589 -171.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.488 ' HB3' HD22 ' A' ' 59' ' ' LEU . 98.5 m-85 -87.87 112.31 22.36 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.089 0.955 . . . . 0.0 109.009 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.44 130.28 34.62 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -61.2 -25.57 67.13 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.685 0.794 . . . . 0.0 110.695 -174.111 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -40.07 96.89 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.396 0.435 . . . . 0.0 112.443 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 45.0 mt-10 -67.34 -40.92 85.92 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.551 0.741 . . . . 0.0 110.114 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.672 HD12 HD13 ' A' ' 62' ' ' LEU . 4.6 mm? -57.72 -36.44 72.03 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.073 0.949 . . . . 0.0 111.593 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -59.77 -21.47 60.82 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.471 0.709 . . . . 0.0 112.699 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 10.8 mmpt? -107.97 0.66 22.03 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.039 0.936 . . . . 0.0 112.062 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.672 HD13 HD12 ' A' ' 59' ' ' LEU . 54.4 mt -94.64 90.86 6.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -29.31 36.23 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.256 1.023 . . . . 0.0 110.597 -171.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 HD21 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -140.64 171.6 13.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.586 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.01 -24.29 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.559 1.144 . . . . 0.0 111.153 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.98 -37.66 74.03 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 113.143 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.482 ' H ' HD21 ' A' ' 64' ' ' ASN . 69.9 m-20 -67.73 -42.27 82.15 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 62' ' ' LEU . 58.0 tp -63.05 -40.54 98.02 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.268 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.91 77.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 0.0 110.664 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.53 -36.65 78.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.083 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 2.5 tm? -70.51 -35.16 73.05 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.031 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 68' ' ' LEU . 92.5 t -62.98 -43.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.774 0.43 . . . . 0.0 110.222 171.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -59.18 -41.13 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.475 0.71 . . . . 0.0 110.483 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -61.92 -43.77 98.16 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.417 1.073 . . . . 0.0 110.839 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.0 mmtt -65.85 -43.8 87.36 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.48 -20.99 62.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.215 0.606 . . . . 0.0 111.262 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.48 27.4 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.534 0.734 . . . . 0.0 110.167 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -73.0 -31.45 64.5 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.545 0.738 . . . . 0.0 110.34 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 C--O 1.236 0.376 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.698 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 CA--C 1.55 1.315 0 N-CA-C 113.35 0.481 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 18.3 p -62.52 -49.76 74.05 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.777 -176.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.6 -43.85 65.62 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.679 0.792 . . . . 0.0 112.189 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.63 -43.84 85.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.316 1.047 . . . . 0.0 111.301 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.19 63.28 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD22 ' HH ' ' A' ' 50' ' ' TYR . 95.7 mt -75.29 -29.15 60.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.013 0.525 . . . . 0.0 110.179 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -54.89 -50.03 88.48 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.259 -0.877 . . . . 0.0 113.322 -174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.38 -25.01 71.17 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 122.117 1.878 . . . . 0.0 112.765 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 ' O ' HG21 ' A' ' 14' ' ' VAL . 38.5 mm -69.12 -47.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.83 -46.01 80.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.538 0.735 . . . . 0.0 110.491 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.52 -34.9 73.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.78 0.832 . . . . 0.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -70.15 -53.73 15.99 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.484 0.714 . . . . 0.0 110.998 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 10' ' ' ILE . 90.9 t -55.49 -54.6 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.747 0.819 . . . . 0.0 111.338 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE2' HD23 ' A' ' 42' ' ' LEU . 83.8 m-85 -84.44 -4.22 58.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 77.51 -9.91 1.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.392 1.077 . . . . 0.0 112.057 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.46 131.31 55.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.5 0.72 . . . . 0.0 110.757 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -86.13 -0.69 56.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.068 0.947 . . . . 0.0 113.432 -174.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -74.64 -15.82 60.8 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.151 0.432 . . . . 0.0 111.338 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -64.76 115.02 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.394 0.677 . . . . 0.0 110.784 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.05 132.24 66.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 mt -97.92 140.03 32.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.81 0.814 . . . . 0.0 111.933 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.6 p -136.36 178.38 7.11 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 126.214 1.805 . . . . 0.0 106.191 170.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.04 -49.79 75.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.422 0.289 . . . . 0.0 111.232 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -88.17 4.97 43.64 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 m -52.24 127.26 21.41 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.195 0.598 . . . . 0.0 110.387 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -141.16 161.31 38.18 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.388 0.675 . . . . 0.0 110.01 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -21.94 64.03 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.43 1.092 . . . . 0.0 113.683 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -35.39 76.58 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.044 0.938 . . . . 0.0 110.385 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.9 -15.01 58.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.714 0.805 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.98 107.96 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.09 -39.97 95.21 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.546 0.739 . . . . 0.0 111.306 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.14 58.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.768 0.827 . . . . 0.0 112.74 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.66 120.38 21.76 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.378 0.671 . . . . 0.0 110.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.42 -172.2 2.27 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.3 1.44 . . . . 0.0 109.741 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.3 m -69.54 -45.41 68.86 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.037 0.935 . . . . 0.0 109.967 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.84 -32.8 74.53 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.866 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -68.59 -41.23 79.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.336 0.654 . . . . 0.0 110.27 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -62.52 -39.37 93.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.819 0.848 . . . . 0.0 110.46 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.8 mmm -73.12 -30.9 63.97 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.886 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.874 0.469 . . . . 0.0 110.136 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.8 mm? -61.99 -57.59 11.11 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.691 0.619 . . . . 0.0 110.487 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.534 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.23 -46.08 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 124.332 1.02 . . . . 0.0 111.172 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.77 -29.66 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.1 m -65.14 -40.55 94.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.673 0.389 . . . . 0.0 110.057 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 43.3 mt -71.32 -30.61 66.43 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.565 0.346 . . . . 0.0 110.777 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 7.9 mm-40 -62.33 -55.94 23.26 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.946 0.898 . . . . 0.0 110.722 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.48 -41.55 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.281 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -68.05 -53.56 24.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 0.0 112.161 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' HB3' HD23 ' A' ' 76' ' ' LEU . 90.9 m-85 -93.75 -3.0 52.97 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.862 0.465 . . . . 0.0 112.003 -175.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.96 24.66 14.67 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.01 1.324 . . . . 0.0 111.328 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.444 ' HB ' ' HD3' ' A' ' 75' ' ' LYS . 25.3 pt -97.49 -176.68 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.45 0.7 . . . . 0.0 109.852 -171.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -138.57 112.61 8.54 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.287 0.635 . . . . 0.0 110.154 -173.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.36 136.03 42.91 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -104.22 169.16 8.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.28 -35.6 75.91 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.123 0.569 . . . . 0.0 110.475 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.43 93.45 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 34.2 mt-10 -76.8 -24.34 52.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.656 0.782 . . . . 0.0 110.828 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 55' ' ' ALA . 1.2 mm? -67.32 -39.79 85.92 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.918 0.887 . . . . 0.0 109.192 172.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.2 -20.08 63.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.017 0.527 . . . . 0.0 111.393 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.01 -23.75 55.25 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.744 0.818 . . . . 0.0 111.055 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 51.6 mt -84.46 84.27 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.17 0.588 . . . . 0.0 109.65 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -88.37 -25.28 22.8 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.138 0.975 . . . . 0.0 109.342 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.53 176.49 11.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.435 0.694 . . . . 0.0 110.831 172.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.503 ' HA ' HD21 ' A' ' 68' ' ' LEU . 57.9 t -69.66 -15.52 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.257 1.023 . . . . 0.0 111.594 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.76 -27.52 73.61 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -78.47 -30.52 47.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.537 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 65' ' ' VAL . 3.6 mm? -66.43 -35.53 80.53 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.73 0.695 . . . . 0.0 109.514 168.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.67 98.33 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.72 0.408 . . . . 0.0 109.902 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 25.5 t70 -63.22 -62.54 1.63 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.416 1.073 . . . . 0.0 110.637 177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.08 -54.04 49.68 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.419 0.688 . . . . 0.0 111.195 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -57.46 -38.8 65.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.612 0.57 . . . . 0.0 110.421 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.31 -46.87 86.8 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.027 0.531 . . . . 0.0 111.546 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 71.2 mmtt -65.37 -34.61 78.71 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.721 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' HB ' ' A' ' 52' ' ' ILE . 64.9 mttm -77.08 -38.41 52.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.765 0.826 . . . . 0.0 111.204 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 50' ' ' TYR . 84.8 mt -71.54 -23.6 61.8 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.579 0.549 . . . . 0.0 110.662 176.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -49.07 72.36 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.897 0.748 . . . . 0.0 109.568 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.7 mmt85 -66.98 -18.47 65.4 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.419 0.687 . . . . 0.0 112.284 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 122.911 0.484 . . . . 0.0 110.829 174.047 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 N--CA 1.486 1.036 0 N-CA-C 110.855 -0.479 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 73' ' ' ASP . 53.0 p -63.04 -75.67 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.829 -166.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.15 -30.59 71.71 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.534 0.734 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.66 -56.38 22.62 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.312 1.045 . . . . 0.0 111.138 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.79 73.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.701 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.87 -32.38 70.71 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.638 0.375 . . . . 0.0 111.554 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -54.92 -50.28 87.14 Favored Pre-proline 0 CA--C 1.573 1.849 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.179 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.9 -41.0 78.46 Favored 'Trans proline' 0 C--N 1.393 2.91 0 C-N-CA 122.786 2.324 . . . . 0.0 113.458 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.11 -53.05 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.244 0.618 . . . . 0.0 110.73 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.0 -46.9 79.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.614 0.765 . . . . 0.0 110.609 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.88 -28.93 70.38 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.863 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.3 -58.71 3.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.805 0.442 . . . . 0.0 110.37 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 42' ' ' LEU . 48.6 t -56.28 -55.84 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 0.0 112.247 -174.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.96 -21.0 40.73 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.782 0.433 . . . . 0.0 110.651 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 t70 61.17 79.99 0.23 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.046 1.338 . . . . 0.0 110.51 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -167.58 125.84 1.25 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.861 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -73.4 -26.56 61.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.244 1.018 . . . . 0.0 111.784 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -72.62 -9.57 58.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.013 0.525 . . . . 0.0 112.175 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.1 101.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.6 t -116.91 110.75 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.477 HD22 HG11 ' A' ' 65' ' ' VAL . 90.6 mt -91.08 129.81 37.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.107 0.48 . . . . 0.0 111.9 -169.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -128.33 169.73 13.9 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp-105 -74.61 0.3 15.46 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.14 -3.97 10.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.188 0.595 . . . . 0.0 111.403 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -62.42 138.94 58.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.5 p -150.65 -175.29 5.05 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 109.677 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -12.62 59.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -76.04 -33.61 59.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.75 -24.59 35.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.59 0.756 . . . . 0.0 111.451 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.0 100.07 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.81 -40.17 87.47 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.12 0.968 . . . . 0.0 111.432 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.4 21.37 0.95 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 112.511 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -86.18 76.15 9.78 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 121.814 -0.554 . . . . 0.0 109.98 174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.169 0.988 . . . . 0.0 111.673 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -63.84 -46.6 84.29 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.3 -29.23 67.04 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -71.19 -35.14 71.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.655 0.782 . . . . 0.0 109.811 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -66.88 -41.43 87.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 110.477 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.1 mmm -62.98 -40.43 97.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.81 0.444 . . . . 0.0 110.742 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.87 -35.5 80.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.777 0.673 . . . . 0.0 110.699 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 14' ' ' VAL . 2.7 tm? -63.56 -49.05 74.93 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.747 0.819 . . . . 0.0 110.207 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.27 -49.6 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.516 0.727 . . . . 0.0 110.708 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.84 -24.84 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -70.22 -37.61 75.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.991 0.517 . . . . 0.0 110.809 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -36.46 79.33 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 122.861 0.464 . . . . 0.0 110.315 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.18 -59.49 5.23 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.874 0.869 . . . . 0.0 111.505 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.01 -41.48 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -68.86 -58.08 4.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.719 0.408 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -83.24 -15.41 50.44 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 mttp 58.9 43.92 17.35 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.251 1.02 . . . . 0.0 111.53 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.2 pt -105.76 -171.7 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.744 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.14 109.01 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.84 0.745 . . . . 0.0 111.109 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' HB3' HD23 ' A' ' 59' ' ' LEU . 97.0 m-85 -88.34 127.58 35.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 58' ' ' GLU . . . -92.44 138.33 31.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 164.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.08 -27.0 68.6 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.102 0.561 . . . . 0.0 109.644 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.68 93.52 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.429 -0.351 . . . . 0.0 112.587 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.7 mt-10 -68.63 -35.91 77.93 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.518 0.727 . . . . 0.0 111.166 174.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.643 HD13 HD13 ' A' ' 62' ' ' LEU . 4.3 mm? -61.49 -37.19 82.75 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.473 0.709 . . . . 0.0 111.581 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.53 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -63.15 -21.38 66.16 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.896 0.478 . . . . 0.0 111.911 175.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -92.65 -9.5 40.7 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.636 0.774 . . . . 0.0 110.723 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.643 HD13 HD13 ' A' ' 59' ' ' LEU . 73.3 mt -97.6 110.32 22.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.334 0.653 . . . . 0.0 109.284 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -29.24 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.148 0.979 . . . . 0.0 110.692 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.36 177.31 9.79 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.477 HG11 HD22 ' A' ' 22' ' ' LEU . 47.0 t -64.77 -25.04 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 124.405 1.082 . . . . 0.0 111.091 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.31 96.92 Favored Glycine 0 C--N 1.344 1.005 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.23 -42.31 93.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.93 0.492 . . . . 0.0 109.939 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.31 -36.9 85.22 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.738 0.415 . . . . 0.0 111.115 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.469 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -59.1 -59.02 6.13 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 -177.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.8 m-20 -59.62 -49.6 77.14 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.215 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.513 ' HG ' HD22 ' A' ' 62' ' ' LEU . 2.2 tm? -68.27 -48.3 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.196 0.999 . . . . 0.0 112.217 -170.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 76.2 t -57.04 -39.65 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 175.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.525 ' HB2' HG23 ' A' ' 3' ' ' THR . 27.1 t70 -74.4 -24.42 59.11 Favored 'General case' 0 CA--C 1.555 1.149 0 O-C-N 123.377 0.423 . . . . 0.0 111.65 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.9 mmtp -69.21 -31.04 69.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -82.27 -22.32 35.8 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.21 175.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.0 mt -75.22 -27.89 59.73 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.62 -29.23 65.56 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.039 170.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 31.3 mmt180 -72.91 -26.39 61.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.225 0.61 . . . . 0.0 110.9 170.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HZ3' ' HB3' ' A' ' 79' ' ' LYS . 5.1 mmmp? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo . . . . . 0 N--CA 1.486 1.078 0 CA-C-O 120.847 0.27 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 p -73.05 -76.54 0.12 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.082 0.953 . . . . 0.0 111.161 -166.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.03 -37.64 85.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.481 0.713 . . . . 0.0 110.416 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.05 -49.49 68.85 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.336 1.055 . . . . 0.0 111.731 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.4 -31.04 37.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.328 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.54 HD21 ' HH ' ' A' ' 50' ' ' TYR . 83.9 mt -71.51 -32.99 68.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.722 0.409 . . . . 0.0 111.491 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 87.1 m -54.71 -51.51 78.2 Favored Pre-proline 0 CA--C 1.568 1.658 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.981 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 38.4 Cg_exo -60.94 -26.76 83.71 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 122.329 2.02 . . . . 0.0 113.879 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.79 -53.55 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.22 -44.89 78.42 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.16 0.584 . . . . 0.0 110.301 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -55.01 -38.96 68.58 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.447 0.699 . . . . 0.0 111.85 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -72.32 -58.7 3.19 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 111.293 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 42' ' ' LEU . 98.3 t -61.14 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 124.159 0.983 . . . . 0.0 112.352 -172.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -80.31 -23.29 40.76 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.288 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 t70 59.66 70.58 0.63 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.303 1.002 . . . . 0.0 109.054 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.54 117.5 2.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.013 -176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.91 -20.14 59.84 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.382 1.073 . . . . 0.0 112.346 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m -75.93 -7.01 53.57 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.076 -0.39 . . . . 0.0 112.049 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.07 106.7 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.06 0.544 . . . . 0.0 110.11 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.46 103.82 14.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 174.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.96 130.84 45.69 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.467 0.707 . . . . 0.0 112.435 -171.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -119.35 170.42 9.14 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -66.34 -21.16 66.24 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.406 174.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.61 -2.74 29.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 0.0 112.441 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 65' ' ' VAL . 98.5 m -60.79 120.6 10.42 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 89.7 p -136.84 175.46 9.6 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.759 0.823 . . . . 0.0 110.409 -175.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.19 64.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.862 0.865 . . . . 0.0 112.106 172.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -73.35 -35.65 66.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.385 1.074 . . . . 0.0 111.196 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 27' ' ' SER . 38.9 t70 -74.73 -20.44 59.83 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.64 1.176 . . . . 0.0 113.322 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.9 mt -120.16 121.5 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.14 -34.95 75.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.935 0.894 . . . . 0.0 111.428 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.09 9.73 5.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -96.4 121.51 38.28 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.3 166.41 14.71 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.587 1.155 . . . . 0.0 108.643 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -63.83 -31.5 72.7 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.16 0.584 . . . . 0.0 110.066 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.55 -42.66 92.87 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.556 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -63.95 -37.8 88.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.63 0.772 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 85.4 m-70 -56.37 -44.39 80.12 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.839 0.712 . . . . 0.0 112.014 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.2 mmm -61.39 -29.99 70.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.525 0.202 . . . . 0.0 111.54 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -74.03 -33.59 63.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.275 0.63 . . . . 0.0 110.886 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 14' ' ' VAL . 3.8 mm? -60.76 -56.48 20.69 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.221 0.608 . . . . 0.0 109.874 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.02 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.708 1.255 . . . . 0.0 110.065 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.1 -32.79 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -69.37 -39.8 77.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.914 0.485 . . . . 0.0 111.102 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 83.5 mt -68.02 -36.54 80.11 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 6.9 mm-40 -70.38 -38.21 74.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.035 0.934 . . . . 0.0 112.02 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.9 -47.07 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -66.24 -44.54 83.48 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.85 0.46 . . . . 0.0 111.53 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.54 ' HH ' HD21 ' A' ' 7' ' ' LEU . 74.5 m-85 -93.19 -5.74 49.36 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.921 -0.562 . . . . 0.0 111.263 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.288 0.0 OUTLIER 43.08 41.7 2.89 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 125.371 1.469 . . . . 0.0 112.754 -174.734 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.721 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 24.1 pt -104.27 -173.97 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.074 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HZ1' ' HB3' ' A' ' 55' ' ' ALA . 14.0 tmtt? -144.14 106.46 4.39 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.549 0.339 . . . . 0.0 110.235 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -88.03 155.74 19.66 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.886 0.874 . . . . 0.0 108.712 164.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HB3' ' HZ1' ' A' ' 53' ' ' LYS . . . -111.35 148.0 33.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 165.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.33 -26.8 68.93 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.448 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -58.42 -44.03 95.49 Favored Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 170.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.15 93.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.501 0.72 . . . . 0.0 110.301 174.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 62' ' ' LEU . 4.3 mm? -57.77 -42.52 84.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.385 0.674 . . . . 0.0 111.368 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -67.42 -24.35 65.64 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.843 0.457 . . . . 0.0 111.356 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 39.0 mmtm -81.83 -12.81 58.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.211 0.605 . . . . 0.0 111.227 176.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 67' ' ' ASP . 16.1 mt -84.13 144.63 28.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -118.49 -34.49 4.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.474 0.709 . . . . 0.0 110.033 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.44 177.95 10.06 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.774 0.83 . . . . 0.0 111.18 -172.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' HA ' HD21 ' A' ' 68' ' ' LEU . 97.9 t -72.62 -10.13 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 124.22 1.008 . . . . 0.0 111.162 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.07 -33.45 87.14 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.548 ' HB3' HD21 ' A' ' 62' ' ' LEU . 17.3 m-20 -73.57 -37.68 65.43 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.452 0.701 . . . . 0.0 110.65 174.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 65' ' ' VAL . 3.8 mm? -63.64 -40.24 96.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 117.721 0.237 . . . . 0.0 110.432 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.4 88.83 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.871 0.469 . . . . 0.0 109.827 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.2 t70 -64.58 -59.07 4.72 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.484 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD13 ' HE2' ' A' ' 75' ' ' LYS . 4.1 mm? -63.41 -50.68 68.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.325 0.65 . . . . 0.0 111.606 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.497 HG23 HD23 ' A' ' 7' ' ' LEU . 93.7 t -55.82 -44.31 77.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 123.759 0.662 . . . . 0.0 110.41 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.02 -45.34 90.95 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.329 0.585 . . . . 0.0 111.776 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 74.2 mmtt -69.23 -39.43 78.54 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.017 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HE2' HD13 ' A' ' 71' ' ' LEU . 68.5 mttm -73.97 -38.35 64.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.442 0.697 . . . . 0.0 110.612 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 80.5 mt -61.17 -41.73 97.3 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.01 77.42 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.505 0.722 . . . . 0.0 111.466 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.7 mmt180 -69.96 -31.64 69.46 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.148 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.721 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 74.6 mmtt . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.825 0.85 . . . . 0.0 111.694 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 N--CA 1.489 1.246 0 N-CA-C 114.371 0.873 . . . . 0.0 114.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 p -70.47 -68.31 0.44 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.77 -172.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.26 -36.33 63.48 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 118.78 0.718 . . . . 0.0 111.929 -172.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.68 -50.71 65.24 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.337 1.055 . . . . 0.0 111.67 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.42 -23.84 34.66 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.873 0.869 . . . . 0.0 111.576 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.516 HD21 ' HH ' ' A' ' 50' ' ' TYR . 88.3 mt -79.29 -34.11 42.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.265 0.626 . . . . 0.0 110.896 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -55.11 -47.44 98.5 Favored Pre-proline 0 CA--C 1.572 1.799 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.514 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.26 -41.74 57.14 Favored 'Trans proline' 0 C--N 1.393 2.869 0 C-N-CA 122.8 2.333 . . . . 0.0 113.516 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG22 HD22 ' A' ' 46' ' ' LEU . 34.8 mm -65.5 -51.02 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.055 0.542 . . . . 0.0 110.038 -175.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.47 -39.13 93.65 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.789 0.681 . . . . 0.0 110.829 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' NH2' HG23 ' A' ' 21' ' ' VAL . 90.2 mtt180 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.189 0.196 . . . . 0.0 111.247 177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -74.81 -47.31 31.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.275 0.23 . . . . 0.0 111.545 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.59 -54.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.187 0.995 . . . . 0.0 111.325 177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.91 -3.96 57.6 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.504 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.06 8.38 6.47 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.76 1.224 . . . . 0.0 111.146 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.04 165.73 12.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.582 1.153 . . . . 0.0 111.054 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -112.11 -40.93 4.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.504 1.121 . . . . 0.0 110.065 -175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 m -80.83 -5.69 57.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.949 0.9 . . . . 0.0 112.771 -166.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -66.61 108.73 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.696 0.399 . . . . 0.0 110.205 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.482 HG23 ' NH2' ' A' ' 12' ' ' ARG . 43.0 t -127.87 98.88 4.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 65' ' ' VAL . 98.3 mt -59.18 145.14 43.7 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -165.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 p -137.17 169.38 17.87 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.615 -1.175 . . . . 0.0 107.915 168.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.91 -37.45 76.68 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.358 0.663 . . . . 0.0 112.496 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.54 0.89 53.53 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 65' ' ' VAL . 22.6 m -61.62 93.68 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.916 0.486 . . . . 0.0 111.254 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -92.44 170.45 9.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.225 0.61 . . . . 0.0 110.114 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.34 -11.86 58.73 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.713 0.405 . . . . 0.0 111.859 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.31 -23.4 40.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.75 0.82 . . . . 0.0 110.636 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.73 -17.89 34.62 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.633 0.773 . . . . 0.0 112.283 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.06 116.24 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.04 -30.26 62.33 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.406 0.282 . . . . 0.0 111.091 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.33 -26.25 67.96 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.63 0.772 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -75.93 114.76 14.93 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -132.92 175.51 9.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.313 1.445 . . . . 0.0 107.993 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -50.71 -38.7 48.69 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.839 0.855 . . . . 0.0 111.563 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.16 -40.6 90.65 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.142 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 m -70.92 -30.28 66.56 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.461 0.704 . . . . 0.0 111.25 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -60.12 -45.41 93.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.257 0.623 . . . . 0.0 110.744 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.47 -45.62 93.07 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.698 0.624 . . . . 0.0 110.568 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.45 -44.8 96.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.816 0.846 . . . . 0.0 111.293 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.94 -45.76 80.64 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.657 0.783 . . . . 0.0 110.826 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.6 mp -68.8 -45.53 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.531 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.93 -28.41 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.29 0.495 . . . . 0.0 111.461 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.4 -43.43 94.45 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.59 0.556 . . . . 0.0 110.936 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.435 HD22 HG22 ' A' ' 10' ' ' ILE . 59.0 mt -68.54 -33.73 74.62 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.401 -0.187 . . . . 0.0 110.707 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 56.1 mm-40 -57.59 -56.57 20.22 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.187 0.995 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.12 -40.85 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -67.22 -51.74 49.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.585 0.354 . . . . 0.0 111.699 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.516 ' HH ' HD21 ' A' ' 7' ' ' LEU . 89.4 m-85 -93.98 -2.74 52.67 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.075 0.55 . . . . 0.0 112.139 -175.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 65.44 25.26 11.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.759 1.224 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.0 pt -102.78 178.64 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.222 0.609 . . . . 0.0 110.771 -168.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -147.68 116.08 6.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -95.37 147.89 23.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.108 0.963 . . . . 0.0 109.125 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 158.19 15.56 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 167.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -32.49 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.52 89.08 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 113.168 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -71.89 -33.8 68.65 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.759 0.424 . . . . 0.0 110.764 175.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.45 -31.07 70.98 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.149 0.58 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -58.88 -34.93 72.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.41 0.684 . . . . 0.0 111.274 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -87.63 3.69 46.76 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.034 0.534 . . . . 0.0 112.085 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -99.28 98.03 9.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.81 -29.61 17.48 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.919 0.888 . . . . 0.0 109.256 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.93 178.55 10.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.272 0.629 . . . . 0.0 111.146 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 22' ' ' LEU . 25.7 t -68.52 -16.66 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.627 0.771 . . . . 0.0 111.504 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.99 -31.31 72.35 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 27.1 m-20 -68.38 -38.43 81.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.17 -30.21 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.047 0.539 . . . . 0.0 111.24 173.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -52.24 65.14 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 6.7 m-20 -70.03 -38.47 75.88 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.87 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.03 -53.6 19.61 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 123.383 0.673 . . . . 0.0 109.924 -173.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 47.5 t -65.61 -28.43 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.101 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -36.2 83.36 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 122.937 0.495 . . . . 0.0 110.961 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.6 mmmt -60.18 -44.29 95.17 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 74.9 mmtt -71.74 -36.56 70.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.169 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 68.8 mt -70.14 -36.49 74.81 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.28 0.632 . . . . 0.0 110.09 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -35.39 72.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.825 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.53 -33.14 62.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.627 0.371 . . . . 0.0 110.992 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.3 mmtt . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 123.636 0.774 . . . . 0.0 112.23 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo . . . . . 0 CA--C 1.544 0.989 0 N-CA-C 113.18 0.415 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 73' ' ' ASP . 46.2 p -73.72 -65.02 0.88 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.826 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.07 -40.0 63.72 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 123.292 0.637 . . . . 0.0 110.766 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.37 -47.41 81.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.61 1.164 . . . . 0.0 111.706 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.73 55.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.249 0.62 . . . . 0.0 111.928 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD22 HG23 ' A' ' 72' ' ' VAL . 85.7 mt -79.58 -32.88 42.07 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 123.099 0.559 . . . . 0.0 110.593 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -56.62 -47.29 99.25 Favored Pre-proline 0 CA--C 1.57 1.733 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.985 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.03 -32.49 93.31 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.778 2.319 . . . . 0.0 113.766 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.91 -43.87 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.035 0.534 . . . . 0.0 109.93 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.36 -42.56 75.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.475 0.71 . . . . 0.0 110.373 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.78 -23.93 67.56 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.006 0.522 . . . . 0.0 111.803 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -80.25 -59.84 2.55 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.25 0.62 . . . . 0.0 110.391 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.6 -54.52 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 125.067 1.347 . . . . 0.0 112.23 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -83.37 -23.29 32.5 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.256 0.622 . . . . 0.0 110.8 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 t70 61.21 80.21 0.23 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.414 1.071 . . . . 0.0 110.394 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -163.89 115.03 1.34 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.888 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.88 -29.71 69.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.732 1.213 . . . . 0.0 112.494 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -78.31 -18.56 55.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.986 -0.531 . . . . 0.0 111.981 -168.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.51 114.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 122.868 0.467 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.82 107.58 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 65' ' ' VAL . 89.1 mt -73.59 141.29 46.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -170.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -131.81 174.69 9.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 125.403 1.481 . . . . 0.0 107.053 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -66.98 -28.25 68.11 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.879 0.472 . . . . 0.0 111.592 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -96.8 -8.78 30.24 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.993 0.517 . . . . 0.0 111.66 -174.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -58.77 139.86 55.7 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.6 p -158.47 -179.48 8.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.724 0.81 . . . . 0.0 109.373 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.7 56.0 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.813 0.445 . . . . 0.0 111.567 171.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.91 -31.09 31.56 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.87 -17.74 24.81 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.982 1.313 . . . . 0.0 111.463 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.2 mt -118.85 100.79 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.78 -31.46 72.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.878 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.46 8.43 4.26 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -111.35 131.01 55.5 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.671 0.789 . . . . 0.0 110.233 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.15 171.27 11.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.738 1.215 . . . . 0.0 109.862 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -73.7 -17.32 61.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.4 0.68 . . . . 0.0 111.71 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.34 -41.72 84.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 165.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -73.38 -25.57 60.62 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.864 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.21 -41.63 79.79 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.136 0.574 . . . . 0.0 110.805 171.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.535 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 11.6 mmt -60.82 -49.03 79.11 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.545 0.528 . . . . 0.0 110.674 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.85 -46.7 88.45 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.375 1.047 . . . . 0.0 110.947 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.2 -52.4 59.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.374 1.07 . . . . 0.0 110.941 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -62.08 -46.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.444 0.698 . . . . 0.0 110.794 -175.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.36 -27.6 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.097 0.408 . . . . 0.0 112.062 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -62.49 -42.23 99.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.918 0.487 . . . . 0.0 110.382 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 mt -71.06 -33.95 70.74 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.752 0.421 . . . . 0.0 111.484 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.5 mm-40 -61.02 -51.69 68.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.777 0.831 . . . . 0.0 110.529 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.76 -37.1 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -67.24 -57.19 7.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.279 0.632 . . . . 0.0 112.306 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.3 -2.69 56.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.472 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 61.8 33.41 17.76 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.116 0.966 . . . . 0.0 110.926 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 75' ' ' LYS . 29.0 pt -107.19 176.21 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 0.0 110.386 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -140.92 105.8 4.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -82.3 133.88 35.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.07 152.35 18.84 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.8 tm? -57.86 -29.33 64.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.313 0.645 . . . . 0.0 110.587 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -38.11 95.5 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.189 0.306 . . . . 0.0 112.963 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.71 -25.79 53.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.762 0.825 . . . . 0.0 110.756 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.578 HD13 HD12 ' A' ' 62' ' ' LEU . 3.1 mm? -68.37 -37.08 80.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.023 0.929 . . . . 0.0 110.375 172.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -61.6 -18.0 57.52 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.162 0.585 . . . . 0.0 112.318 171.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -95.46 -0.03 52.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.404 0.682 . . . . 0.0 112.453 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.578 HD12 HD13 ' A' ' 59' ' ' LEU . 70.8 mt -98.11 93.45 6.28 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.295 0.498 . . . . 0.0 109.993 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -102.63 -30.89 10.66 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.687 0.795 . . . . 0.0 109.351 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -134.64 170.73 15.37 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.23 0.612 . . . . 0.0 109.479 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 22' ' ' LEU . 21.9 t -66.96 -20.58 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.808 0.843 . . . . 0.0 110.098 170.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.65 -42.33 87.92 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.93 -42.51 99.19 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.25 0.62 . . . . 0.0 110.33 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.6 tp -68.59 -29.47 68.01 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.87 75.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.363 0.665 . . . . 0.0 109.929 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 71.8 m-20 -64.45 -45.98 85.08 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.828 173.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -64.06 -49.63 71.57 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.061 0.85 . . . . 0.0 110.375 -173.602 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 71.0 t -59.62 -40.44 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.785 0.834 . . . . 0.0 110.298 175.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.551 ' HB2' HG23 ' A' ' 3' ' ' THR . 15.5 t70 -64.67 -35.37 80.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.173 0.589 . . . . 0.0 110.98 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.6 mmmt -67.15 -37.26 83.49 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.25 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB3' HG23 ' A' ' 52' ' ' ILE . 75.2 mmtt -70.61 -38.03 73.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.518 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 78.7 mt -74.27 -22.29 59.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.505 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.85 83.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.286 0.634 . . . . 0.0 109.701 169.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 21.2 mmt180 -68.47 -34.07 75.29 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.873 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.38 0.672 . . . . 0.0 110.176 179.178 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 CA--C 1.542 0.889 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.449 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -65.68 -61.44 2.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -56.1 -37.3 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.398 1.061 . . . . 0.0 110.683 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.72 -46.59 89.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.04 0.936 . . . . 0.0 111.595 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -31.55 67.93 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.688 0.795 . . . . 0.0 111.325 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.546 HD21 ' HH ' ' A' ' 50' ' ' TYR . 88.4 mt -77.89 -30.02 50.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -54.51 -47.59 97.35 Favored Pre-proline 0 N--CA 1.493 1.696 0 CA-C-O 118.058 -0.972 . . . . 0.0 113.463 -172.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.86 -31.62 91.83 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.162 1.908 . . . . 0.0 113.232 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.451 HG21 HD22 ' A' ' 46' ' ' LEU . 28.4 mm -67.57 -44.67 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.939 0.495 . . . . 0.0 109.816 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 7' ' ' LEU . 6.1 m-85 -69.16 -38.58 78.83 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.247 0.619 . . . . 0.0 110.67 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.9 -23.42 64.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.867 0.467 . . . . 0.0 111.828 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -77.3 -58.17 3.42 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.399 0.679 . . . . 0.0 110.442 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 42' ' ' LEU . 65.4 t -60.06 -52.41 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 111.941 -176.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -82.82 -11.15 58.48 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.42 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.47 80.63 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.179 0.991 . . . . 0.0 110.344 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -164.76 173.98 11.2 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.44 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -133.5 -27.51 1.53 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.785 0.834 . . . . 0.0 110.867 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -82.79 -16.01 49.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.664 0.786 . . . . 0.0 112.042 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -67.05 106.2 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.74 111.1 34.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 HD12 HG11 ' A' ' 65' ' ' VAL . 57.1 mt -64.31 130.38 43.59 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.199 0.312 . . . . 0.0 111.585 -169.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.4 p -125.48 167.42 15.04 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -66.48 -15.32 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.36 0.664 . . . . 0.0 112.234 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.01 -4.38 15.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.919 0.887 . . . . 0.0 112.331 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.1 m -58.67 134.03 56.43 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.581 0.352 . . . . 0.0 110.501 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 51.4 p -167.17 -170.72 1.57 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.602 0.761 . . . . 0.0 109.611 -173.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.496 ' HA ' ' HB3' ' A' ' 34' ' ' TRP . . . -77.06 4.58 9.84 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 168.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -96.13 -39.71 9.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 27' ' ' SER . 32.5 t70 -74.08 -33.8 63.78 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.183 172.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.4 mt -121.15 102.3 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.82 -25.96 68.41 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.452 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.96 -4.58 57.0 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 2.1 t90 -80.56 85.31 5.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.263 0.625 . . . . 0.0 110.211 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.31 161.15 28.98 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.804 168.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -69.38 -23.43 63.74 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.832 0.707 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -48.12 81.99 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.204 0.601 . . . . 0.0 109.538 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 m -73.86 -30.04 62.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.423 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.62 -48.32 79.92 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mmm -67.32 -40.17 85.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.62 0.368 . . . . 0.0 110.43 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.99 -37.5 74.36 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.107 0.88 . . . . 0.0 110.766 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 3.2 tm? -66.81 -52.59 42.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.413 0.685 . . . . 0.0 110.738 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.588 HG12 HD21 ' A' ' 59' ' ' LEU . 1.7 mp -61.22 -44.71 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.29 0.636 . . . . 0.0 111.043 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.21 -28.7 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 123.048 0.218 . . . . 0.0 111.57 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -63.79 -41.0 98.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.826 0.45 . . . . 0.0 110.757 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 10' ' ' ILE . 61.6 mt -64.61 -40.26 95.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.56 -54.05 45.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.706 0.802 . . . . 0.0 111.802 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.88 -38.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.48 -56.14 12.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.297 0.639 . . . . 0.0 111.841 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.546 ' HH ' HD21 ' A' ' 7' ' ' LEU . 97.4 m-85 -87.89 -0.58 57.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 63.02 33.78 14.48 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.505 1.122 . . . . 0.0 110.336 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 20.7 pt -110.24 -175.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.97 0.908 . . . . 0.0 109.69 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.41 122.16 5.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.236 0.214 . . . . 0.0 110.432 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.589 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 82.6 m-85 -105.23 142.45 34.98 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.156 0.982 . . . . 0.0 108.534 171.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.79 152.51 20.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.582 0.753 . . . . 0.0 109.195 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.32 -35.33 62.57 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.375 1.07 . . . . 0.0 112.545 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.39 99.47 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.321 0.388 . . . . 0.0 112.462 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.05 -30.26 70.28 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.949 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.588 HD21 HG12 ' A' ' 43' ' ' ILE . 29.9 mt -67.84 -37.93 82.53 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.966 0.506 . . . . 0.0 110.48 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -69.78 -8.53 48.93 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.256 0.622 . . . . 0.0 112.097 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -97.6 -9.88 26.14 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.388 0.675 . . . . 0.0 110.684 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD21 ' HG ' ' A' ' 71' ' ' LEU . 88.5 mt -82.28 85.94 6.76 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -80.85 -32.49 35.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.09 0.472 . . . . 0.0 110.459 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -141.41 173.51 11.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.323 1.049 . . . . 0.0 109.509 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG11 HD12 ' A' ' 22' ' ' LEU . 31.4 t -74.16 -12.33 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.032 0.933 . . . . 0.0 110.522 174.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.07 91.25 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.9 -38.19 88.08 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.217 0.607 . . . . 0.0 110.384 172.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.74 -33.83 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.604 0.362 . . . . 0.0 111.243 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.81 68.45 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 4.3 m-20 -62.82 -51.8 65.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.639 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.589 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.4 mm? -61.04 -53.78 52.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.848 0.859 . . . . 0.0 111.332 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 96.9 t -57.22 -40.68 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.014 0.526 . . . . 0.0 110.444 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.52 -37.95 82.82 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.891 0.476 . . . . 0.0 111.763 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 73.0 mmtt -69.45 -39.07 78.0 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.378 0.424 . . . . 0.0 110.284 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 52' ' ' ILE . 74.3 mmtt -70.72 -38.2 73.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.248 0.619 . . . . 0.0 110.631 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 57.3 mt -75.84 -26.32 57.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.415 0.686 . . . . 0.0 110.805 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.74 87.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.841 0.457 . . . . 0.0 109.855 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.5 mmm180 -69.45 -28.0 65.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.19 0.596 . . . . 0.0 110.681 173.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 123.958 0.903 . . . . 0.0 113.149 178.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo . . . . . 0 N--CA 1.491 1.363 0 CA-C-O 120.953 0.314 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.537 ' HG1' ' HB2' ' A' ' 73' ' ' ASP . 17.0 m -74.63 -51.9 13.17 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.158 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 69' ' ' ALA . 85.0 mt -57.72 -42.2 83.3 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.688 0.395 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -55.01 -50.39 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.058 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.29 89.26 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.8 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 46' ' ' LEU . 72.6 mt -75.0 -27.07 60.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.175 0.59 . . . . 0.0 111.416 -175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 95.8 m -56.07 -50.98 84.24 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.698 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.1 Cg_exo -59.5 -28.86 88.56 Favored 'Trans proline' 0 C--N 1.394 2.923 0 C-N-CA 122.411 2.074 . . . . 0.0 113.723 172.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 HG21 HD23 ' A' ' 46' ' ' LEU . 14.3 mm -71.02 -42.66 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.56 -47.01 77.31 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.322 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.53 -20.88 65.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.36 0.664 . . . . 0.0 112.131 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.5 -59.42 2.73 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.322 0.649 . . . . 0.0 110.291 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' A' ' 42' ' ' LEU . 76.2 t -58.12 -54.31 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.597 1.159 . . . . 0.0 112.04 -173.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.98 -23.04 28.9 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.985 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.16 82.96 0.14 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.77 1.228 . . . . 0.0 110.347 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.64 166.73 26.38 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 -171.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.75 -24.49 7.17 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.734 0.813 . . . . 0.0 110.192 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 m -80.38 -8.55 59.56 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.914 0.886 . . . . 0.0 111.455 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.89 99.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.33 96.91 4.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 HG22 ' A' ' 65' ' ' VAL . 92.7 mt -66.24 136.63 56.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.944 -167.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -134.32 172.76 12.43 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -62.54 -41.77 99.1 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.86 0.5 57.47 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 91.6 m -58.08 98.91 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.416 0.686 . . . . 0.0 112.069 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -95.09 172.64 8.01 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.369 0.604 . . . . 0.0 110.883 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -22.69 62.46 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.263 166.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -78.81 -31.08 45.73 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.526 0.73 . . . . 0.0 110.197 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.37 -30.29 67.17 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.995 0.918 . . . . 0.0 111.166 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.5 107.4 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.06 -36.96 78.47 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.252 0.621 . . . . 0.0 110.694 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.53 -16.95 64.19 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.069 0.948 . . . . 0.0 112.916 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -91.39 63.52 4.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.332 0.653 . . . . 0.0 110.424 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.48 163.51 27.89 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.742 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -46.29 -40.7 12.09 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.66 1.184 . . . . 0.0 112.407 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.42 -44.8 90.06 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.789 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -69.78 -28.66 65.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.652 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -59.49 -46.58 88.4 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.45 0.7 . . . . 0.0 110.551 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.1 mmm -58.31 -45.73 87.47 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.622 0.576 . . . . 0.0 110.886 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -67.43 -38.85 85.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.411 0.684 . . . . 0.0 111.427 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.522 ' HA ' HG23 ' A' ' 14' ' ' VAL . 3.0 tm? -64.03 -50.75 67.24 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.682 0.793 . . . . 0.0 110.968 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.468 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.7 mp -65.23 -45.74 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.905 0.882 . . . . 0.0 110.633 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.36 -25.86 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 118.009 0.368 . . . . 0.0 111.83 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -68.73 -38.86 80.49 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.807 0.443 . . . . 0.0 110.971 171.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.569 HD21 HD22 ' A' ' 7' ' ' LEU . 81.7 mt -63.16 -37.09 85.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 44.1 mt-10 -67.8 -49.32 62.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.495 0.718 . . . . 0.0 111.678 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -38.03 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -64.94 -58.35 6.36 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.657 0.383 . . . . 0.0 111.631 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' HH ' HD21 ' A' ' 7' ' ' LEU . 89.7 m-85 -90.04 -4.33 57.45 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.033 0.533 . . . . 0.0 112.397 -171.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.63 47.46 22.55 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.396 1.078 . . . . 0.0 110.547 -175.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.48 156.8 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.948 0.899 . . . . 0.0 109.765 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -111.8 116.2 30.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.051 0.94 . . . . 0.0 108.534 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -95.61 126.48 40.92 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.87 148.76 21.83 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.96 -35.6 69.32 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.099 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -57.54 -49.93 69.35 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.829 0.705 . . . . 0.0 112.483 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.26 -35.72 76.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.919 0.888 . . . . 0.0 111.46 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.75 -36.89 81.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.487 0.715 . . . . 0.0 111.621 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -73.96 -21.12 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.734 0.414 . . . . 0.0 111.367 174.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 28.8 mmmt -80.87 -11.14 59.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.515 0.326 . . . . 0.0 111.303 174.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.11 139.29 38.1 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -120.38 -36.77 3.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.839 0.856 . . . . 0.0 109.301 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -177.11 6.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.894 0.877 . . . . 0.0 110.827 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' THR . 20.7 t -71.49 -15.59 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.216 0.606 . . . . 0.0 111.243 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.78 -32.19 73.82 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 171.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -68.36 -41.08 81.15 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.83 -28.69 69.73 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.135 0.574 . . . . 0.0 111.42 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.423 ' HB3' HD22 ' A' ' 4' ' ' LEU . . . -65.49 -52.04 55.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.59 0.709 . . . . 0.0 109.455 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 22.9 t70 -64.93 -46.75 80.33 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.967 -1.469 . . . . 0.0 110.223 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.23 -53.07 18.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.955 1.302 . . . . 0.0 111.614 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.422 HG12 HD23 ' A' ' 7' ' ' LEU . 49.4 t -66.35 -27.17 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 117.913 0.324 . . . . 0.0 110.61 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.537 ' HB2' ' HG1' ' A' ' 3' ' ' THR . 22.6 t70 -71.66 -30.28 65.55 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 170.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 72.8 mmtt -67.49 -35.0 78.3 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.1 mmtt -63.81 -46.9 83.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.206 0.602 . . . . 0.0 109.776 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.15 -26.7 66.79 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.7 0.8 . . . . 0.0 110.901 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 -19.78 58.26 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.234 1.014 . . . . 0.0 110.822 175.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 25.7 mmm180 -85.7 -28.7 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.179 0.592 . . . . 0.0 110.808 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.8 mmtt . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 N-CA-C 113.895 0.691 . . . . 0.0 113.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -58.69 3.12 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.98 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.435 HD22 HD13 ' A' ' 7' ' ' LEU . 87.8 mt -53.06 -36.42 60.6 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.901 0.88 . . . . 0.0 112.534 -173.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.13 -54.28 38.05 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.639 1.176 . . . . 0.0 110.823 172.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.46 -26.42 60.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.405 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 HD22 ' HH ' ' A' ' 50' ' ' TYR . 67.7 mt -76.96 -29.84 55.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.505 0.722 . . . . 0.0 110.972 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.428 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 92.2 m -53.21 -51.62 73.59 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.596 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.4 Cg_exo -59.05 -33.01 98.47 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 122.302 2.001 . . . . 0.0 113.225 173.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.9 -55.21 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.949 0.5 . . . . 0.0 110.375 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -42.95 88.91 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.697 0.799 . . . . 0.0 110.595 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -64.42 -25.26 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.733 0.413 . . . . 0.0 111.885 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -79.46 -52.07 8.52 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.307 0.503 . . . . 0.0 110.515 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 42' ' ' LEU . 77.2 t -56.77 -51.44 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.811 1.245 . . . . 0.0 112.158 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.76 -17.89 39.66 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.887 0.475 . . . . 0.0 111.361 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t70 62.21 77.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.897 1.279 . . . . 0.0 110.458 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -161.07 176.83 10.92 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.117 -172.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -136.05 -22.21 1.39 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.541 0.736 . . . . 0.0 111.051 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 m -89.55 -3.14 58.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.693 0.797 . . . . 0.0 111.317 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.88 104.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.5 101.19 12.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD22 HG11 ' A' ' 65' ' ' VAL . 93.4 mt -74.97 140.53 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.057 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -136.3 173.0 12.19 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -78.74 7.86 6.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.199 0.6 . . . . 0.0 111.575 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -126.98 -7.23 6.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.861 0.864 . . . . 0.0 111.807 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 64' ' ' ASN . 96.8 m -58.88 127.45 32.29 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.102 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.9 p -136.64 -172.53 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.853 0.861 . . . . 0.0 110.524 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -18.09 11.8 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 168.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.81 -42.27 86.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.004 0.521 . . . . 0.0 110.384 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.18 -28.6 31.98 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.745 0.818 . . . . 0.0 110.395 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -117.29 88.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.61 -28.4 67.15 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.672 0.789 . . . . 0.0 111.878 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.17 60.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.586 1.154 . . . . 0.0 112.841 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -74.39 118.54 17.46 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.3 0.572 . . . . 0.0 110.003 -176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -120.56 -179.25 3.92 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.949 1.7 . . . . 0.0 107.961 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.0 m -74.56 -18.87 60.52 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.95 -0.469 . . . . 0.0 111.605 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.29 -36.77 61.12 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 169.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.33 -35.28 79.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.724 0.409 . . . . 0.0 110.632 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.89 -52.45 49.7 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.58 0.752 . . . . 0.0 110.239 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.4 mmm -65.57 -44.56 86.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 -174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -60.1 -49.34 78.05 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.788 0.68 . . . . 0.0 110.618 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.1 tm? -64.62 -45.22 87.81 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.429 1.091 . . . . 0.0 110.992 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.5 mp -69.6 -44.53 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.691 0.797 . . . . 0.0 111.249 -174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.65 -28.4 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.969 0.35 . . . . 0.0 110.949 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.1 m -63.74 -41.26 98.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.285 0.634 . . . . 0.0 110.605 171.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' HB3' HD13 ' A' ' 52' ' ' ILE . 88.3 mt -66.35 -39.2 89.03 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 51.4 mt-10 -67.83 -45.99 73.09 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.253 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -74.81 -39.3 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -70.74 -55.64 8.17 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.011 0.524 . . . . 0.0 111.577 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.46 ' HH ' HD22 ' A' ' 7' ' ' LEU . 84.0 m-85 -88.68 -6.78 57.24 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.348 0.659 . . . . 0.0 112.269 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.31 22.33 9.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.076 0.95 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 46' ' ' LEU . 21.4 pt -98.18 -174.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.777 0.831 . . . . 0.0 109.11 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -149.05 125.66 11.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.875 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -109.25 136.36 48.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HD21 ' A' ' 59' ' ' LEU . . . -98.05 164.1 12.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.26 -28.03 66.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.026 0.531 . . . . 0.0 109.901 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -39.9 98.06 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.324 0.39 . . . . 0.0 112.893 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.9 mm-40 -66.66 -39.19 88.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.125 0.57 . . . . 0.0 110.0 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 62' ' ' LEU . 3.9 mm? -60.43 -36.68 78.77 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.447 1.099 . . . . 0.0 111.672 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.3 -35.43 79.03 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.223 0.609 . . . . 0.0 111.502 171.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -77.41 -14.46 59.7 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.096 0.558 . . . . 0.0 111.485 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 81.1 mt -87.23 95.58 10.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.307 0.643 . . . . 0.0 109.712 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.654 ' HZ3' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -100.69 -15.09 17.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.067 175.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.497 ' ND2' ' H ' ' A' ' 66' ' ' GLY . 6.7 p-10 -164.84 174.56 10.49 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.968 0.413 . . . . 0.0 111.228 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.525 HG11 HD22 ' A' ' 22' ' ' LEU . 59.2 t -62.99 -21.73 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 124.999 1.319 . . . . 0.0 111.876 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.497 ' H ' ' ND2' ' A' ' 64' ' ' ASN . . . -68.4 -32.76 75.98 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.068 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.68 -41.07 84.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.216 -0.421 . . . . 0.0 109.99 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.0 -38.62 86.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 117.855 0.298 . . . . 0.0 110.498 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.932 0.493 . . . . 0.0 110.13 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.35 -58.09 7.47 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.287 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.91 -48.6 78.26 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.617 0.573 . . . . 0.0 111.724 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.82 -41.44 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 122.977 0.511 . . . . 0.0 110.511 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.25 -39.98 93.39 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -67.97 -37.98 82.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.045 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -77.53 -27.79 51.78 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 50' ' ' TYR . 58.2 mt -76.7 -23.73 53.14 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.737 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.961 0.504 . . . . 0.0 110.246 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -73.62 -33.76 64.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.425 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 76' ' ' LEU . 5.5 mmtm . . . . . 0 N--CA 1.485 1.295 0 C-N-CA 123.738 0.815 . . . . 0.0 112.086 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 N--CA 1.485 1.007 0 CA-C-O 120.474 0.114 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.596 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 3.1 p -54.55 -75.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.062 0.945 . . . . 0.0 113.492 -166.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -77.17 -34.93 56.26 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.859 0.754 . . . . 0.0 110.45 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.3 -54.96 24.81 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 125.224 1.409 . . . . 0.0 112.272 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.17 -24.09 57.82 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.72 -175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.5 HD22 ' HH ' ' A' ' 50' ' ' TYR . 28.4 mt -77.87 -27.8 49.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.192 -0.432 . . . . 0.0 112.109 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -58.07 -47.29 99.12 Favored Pre-proline 0 CA--C 1.574 1.894 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.818 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.45 -29.48 62.24 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 122.132 1.888 . . . . 0.0 113.117 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.24 -55.98 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.1 -43.73 86.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.044 0.938 . . . . 0.0 110.318 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -57.88 -35.85 71.57 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.472 0.309 . . . . 0.0 111.194 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -71.23 -51.84 22.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.671 0.388 . . . . 0.0 111.24 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -54.0 -53.33 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.603 1.161 . . . . 0.0 112.258 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -83.06 -11.93 57.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.989 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.0 t70 63.11 71.13 0.52 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.691 1.196 . . . . 0.0 109.481 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -157.43 173.04 17.51 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.487 -166.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -141.5 -25.52 0.7 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.028 0.931 . . . . 0.0 110.642 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.6 m -70.28 -20.81 63.02 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.825 0.85 . . . . 0.0 111.495 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.23 114.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.856 0.862 . . . . 0.0 111.475 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -120.72 110.7 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 65' ' ' VAL . 90.0 mt -78.43 140.36 38.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.051 0.453 . . . . 0.0 111.948 -170.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -129.19 167.76 17.15 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -66.58 -18.54 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.972 0.509 . . . . 0.0 112.13 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -114.36 8.62 16.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -63.46 134.12 55.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.91 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 p -155.08 174.88 14.56 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.294 0.497 . . . . 0.0 111.881 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.65 91.91 5.96 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 172.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 156.2 -60.72 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 -150.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.89 -19.45 54.72 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.934 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.67 137.48 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.003 0.921 . . . . 0.0 109.661 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.02 -41.54 14.75 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.899 0.879 . . . . 0.0 110.741 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.67 60.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.115 0.966 . . . . 0.0 112.962 -173.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -91.82 75.2 5.69 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.071 0.948 . . . . 0.0 109.604 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -77.73 173.29 12.23 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.049 0.539 . . . . 0.0 110.561 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -64.11 -36.22 83.32 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.199 0.6 . . . . 0.0 111.816 -172.159 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.65 -27.57 65.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.857 0.463 . . . . 0.0 111.015 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -71.42 -31.64 67.46 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.067 0.547 . . . . 0.0 111.209 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 79.7 m-70 -64.62 -41.3 96.28 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 122.597 0.359 . . . . 0.0 110.606 170.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -58.74 -47.7 83.73 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.4 0.438 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.75 -37.73 88.6 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.842 0.714 . . . . 0.0 110.97 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.92 -54.56 40.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.828 0.851 . . . . 0.0 111.346 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 HD12 ' A' ' 59' ' ' LEU . 1.7 mp -65.46 -44.89 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.577 0.751 . . . . 0.0 110.561 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 m -67.19 -29.46 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.302 0.501 . . . . 0.0 111.846 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -62.8 -42.71 99.83 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.918 0.487 . . . . 0.0 110.403 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.03 -43.67 94.88 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.749 0.419 . . . . 0.0 110.58 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.5 -44.1 97.21 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.399 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.18 -42.51 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.11 -54.32 39.76 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.294 0.638 . . . . 0.0 111.927 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' HH ' HD22 ' A' ' 7' ' ' LEU . 82.1 m-85 -88.56 -4.1 58.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.113 0.565 . . . . 0.0 112.012 -176.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 59.63 41.2 19.11 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.9 0.88 . . . . 0.0 110.837 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.7 pt -113.3 -174.03 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.1 0.96 . . . . 0.0 110.305 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -160.84 132.9 5.92 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -107.84 150.79 26.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.617 0.767 . . . . 0.0 109.725 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 58' ' ' GLU . . . -89.26 147.21 24.25 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -28.12 69.64 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.093 0.557 . . . . 0.0 109.709 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -40.25 95.69 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 68.2 mt-10 -70.24 -33.1 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.368 0.667 . . . . 0.0 110.723 176.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 62' ' ' LEU . 4.0 mm? -57.76 -38.88 76.17 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.009 0.924 . . . . 0.0 111.305 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.535 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -67.17 -20.98 65.81 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.133 0.573 . . . . 0.0 112.128 176.278 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -96.01 -13.48 23.74 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.081 0.952 . . . . 0.0 111.674 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 95.2 mt -81.06 88.23 5.98 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HD2' HD22 ' A' ' 64' ' ' ASN . 8.2 tmtm? -88.71 -29.04 20.15 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.155 0.582 . . . . 0.0 109.607 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.42 HD22 ' HD2' ' A' ' 63' ' ' LYS . 30.0 m-80 -139.45 173.95 11.01 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.49 0.662 . . . . 0.0 111.832 -176.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 22' ' ' LEU . 58.8 t -60.68 -31.9 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.899 1.28 . . . . 0.0 110.745 168.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.73 90.06 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.56 0.538 . . . . 0.0 112.085 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.3 -43.6 81.32 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 110.255 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.276 0.36 . . . . 0.0 110.31 171.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.596 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.02 -38.56 86.52 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.944 0.898 . . . . 0.0 110.559 -176.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.7 t70 -66.02 -51.93 53.87 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.45 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 3.9 mm? -67.95 -49.54 61.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.147 0.579 . . . . 0.0 111.879 -174.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.03 -45.18 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.731 1.213 . . . . 0.0 110.835 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.556 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.1 t70 -70.5 -30.22 66.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.154 0.582 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 43.8 mmtm -65.04 -37.57 88.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 70.8 mmtt -72.23 -39.65 68.34 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.267 0.627 . . . . 0.0 109.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 73' ' ' ASP . 70.5 mt -61.32 -36.4 80.02 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.084 0.954 . . . . 0.0 110.661 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.11 72.39 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.393 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.6 mmt180 -72.11 -25.83 61.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.925 0.49 . . . . 0.0 110.472 173.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm . . . . . 0 N--CA 1.484 1.237 0 C-N-CA 123.521 0.728 . . . . 0.0 112.429 178.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 CA--C 1.544 1.013 0 CA-C-O 120.85 0.271 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.557 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 21.9 p -62.98 -72.31 0.14 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.888 0.875 . . . . 0.0 111.281 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.13 -29.26 43.07 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.94 0.496 . . . . 0.0 110.826 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -57.03 -51.53 68.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.197 0.999 . . . . 0.0 111.616 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.2 75.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.355 0.662 . . . . 0.0 111.645 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.607 HD22 HG23 ' A' ' 72' ' ' VAL . 69.2 mt -73.7 -34.09 64.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.19 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 45.9 m -49.75 -52.9 47.22 Favored Pre-proline 0 CA--C 1.571 1.773 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -174.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 31.8 Cg_exo -62.88 -31.31 77.7 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 122.37 2.047 . . . . 0.0 112.923 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mm -69.17 -44.82 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.402 0.681 . . . . 0.0 110.236 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.05 -49.72 59.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.393 0.677 . . . . 0.0 110.505 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.08 -21.63 66.6 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.402 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -80.64 -56.89 3.85 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.022 0.529 . . . . 0.0 110.796 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.54 -52.32 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.244 1.018 . . . . 0.0 111.566 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -82.37 -12.21 58.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.206 0.602 . . . . 0.0 111.252 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 64.08 32.42 12.8 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.215 1.007 . . . . 0.0 110.466 172.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.04 118.38 14.64 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.037 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.89 -16.28 55.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.768 0.827 . . . . 0.0 111.581 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 m -66.39 -17.52 64.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.03 0.532 . . . . 0.0 111.251 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.15 112.88 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.298 1.039 . . . . 0.0 110.896 173.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.48 112.11 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.578 HD22 HG12 ' A' ' 65' ' ' VAL . 90.1 mt -80.27 140.69 36.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.499 0.72 . . . . 0.0 112.138 -168.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -129.51 177.43 7.21 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.646 1.178 . . . . 0.0 108.167 170.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.82 -12.69 61.79 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.296 0.638 . . . . 0.0 111.912 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -119.63 -3.15 10.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.001 0.921 . . . . 0.0 112.488 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -64.87 142.62 58.37 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 169.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -161.05 -170.22 2.62 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.613 0.642 . . . . 0.0 111.28 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.05 -27.61 54.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.437 1.095 . . . . 0.0 112.948 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.7 -36.85 83.48 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.421 1.089 . . . . 0.0 111.961 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -85.16 -15.5 43.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.56 0.744 . . . . 0.0 112.986 -170.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -120.08 110.63 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.536 0.734 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.52 -4.06 37.67 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -79.1 80.8 5.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.521 0.728 . . . . 0.0 110.478 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.15 173.68 9.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.935 0.494 . . . . 0.0 111.219 164.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -37.74 77.91 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.335 170.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.15 -45.59 91.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.601 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -68.38 -35.06 77.14 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.237 1.015 . . . . 0.0 110.881 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -60.25 -44.29 95.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.517 1.127 . . . . 0.0 110.133 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.7 mmm -68.6 -38.08 80.34 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.993 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -58.86 -42.1 88.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 123.345 0.403 . . . . 0.0 110.461 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -51.35 66.24 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 110.71 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.93 -45.76 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.857 -176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.4 -27.94 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 118.112 0.415 . . . . 0.0 111.889 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.18 -44.28 92.5 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.888 0.475 . . . . 0.0 110.726 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.15 -35.14 80.15 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.666 0.386 . . . . 0.0 111.652 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.3 mm-40 -58.76 -58.41 8.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.057 0.943 . . . . 0.0 110.852 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.55 -38.47 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.088 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -62.47 -61.52 2.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.433 0.693 . . . . 0.0 111.956 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -93.3 -0.18 56.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.581 0.752 . . . . 0.0 112.132 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.29 34.31 18.63 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.282 1.033 . . . . 0.0 110.839 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.4 pt -106.32 177.53 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.585 0.754 . . . . 0.0 110.189 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -141.98 107.33 5.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -83.45 132.71 34.95 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB1' ' HG3' ' A' ' 58' ' ' GLU . . . -89.64 143.28 26.94 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.28 -35.97 70.45 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.505 0.722 . . . . 0.0 110.663 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.93 -39.92 97.65 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.605 0.565 . . . . 0.0 112.446 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 50.4 mt-10 -64.39 -38.66 91.82 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.34 0.656 . . . . 0.0 110.264 175.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.04 -33.38 75.66 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.147 0.579 . . . . 0.0 111.394 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -69.14 -24.09 64.04 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.114 0.566 . . . . 0.0 111.573 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -85.95 -1.86 57.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 40.4 mt -103.81 115.74 31.03 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -101.53 -29.99 11.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.048 0.539 . . . . 0.0 109.652 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -130.91 168.88 16.58 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.616 0.722 . . . . 0.0 110.765 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.578 HG12 HD22 ' A' ' 22' ' ' LEU . 59.3 t -60.53 -29.65 45.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.27 170.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.59 -37.97 89.95 Favored Glycine 0 C--N 1.347 1.175 0 O-C-N 123.487 0.492 . . . . 0.0 112.536 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.91 -47.79 73.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.136 0.574 . . . . 0.0 109.701 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' O ' HG21 ' A' ' 72' ' ' VAL . 59.4 tp -60.63 -35.53 76.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.857 0.863 . . . . 0.0 111.232 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -69.68 -44.1 71.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.716 1.206 . . . . 0.0 110.593 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.8 t70 -58.67 -41.65 86.65 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.225 173.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -42.98 71.43 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.373 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.607 HG23 HD22 ' A' ' 7' ' ' LEU . 89.6 t -58.63 -41.37 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.279 0.632 . . . . 0.0 110.284 173.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 3' ' ' THR . 23.1 t70 -62.3 -36.11 81.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.131 0.972 . . . . 0.0 111.313 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 30.1 mmtm -66.82 -39.31 87.63 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.39 -42.91 78.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.233 0.613 . . . . 0.0 110.784 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.37 -28.63 68.11 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.317 0.647 . . . . 0.0 110.491 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.167 0.587 . . . . 0.0 110.806 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.2 mmm180 -75.35 -16.52 60.38 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.127 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 123.233 0.613 . . . . 0.0 110.717 171.845 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 5' ' ' ASP . 42.3 Cg_endo . . . . . 0 CA--C 1.548 1.218 0 CA-C-O 120.827 0.261 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 69' ' ' ALA . 18.9 p -70.52 -76.8 0.1 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.427 0.691 . . . . 0.0 111.463 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.46 -28.95 33.93 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 23.1 t70 -51.76 -62.19 1.78 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.493 1.517 . . . . 0.0 111.995 -176.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . -77.24 -26.68 52.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.161 -173.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.589 HD22 HG23 ' A' ' 72' ' ' VAL . 52.4 mt -67.48 -32.9 74.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.576 0.35 . . . . 0.0 111.49 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -57.76 -48.4 97.25 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.033 -0.984 . . . . 0.0 113.11 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 6' ' ' ALA . 77.3 Cg_exo -54.13 -41.18 77.85 Favored 'Trans proline' 0 C--N 1.404 3.455 0 C-N-CA 122.976 2.451 . . . . 0.0 113.429 171.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.3 -54.22 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.161 0.584 . . . . 0.0 110.369 -176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.9 -44.8 84.17 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.717 0.807 . . . . 0.0 110.421 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.36 -31.9 70.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.668 0.387 . . . . 0.0 111.734 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -76.85 -55.57 5.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 117.798 0.272 . . . . 0.0 111.175 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -54.58 -48.24 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.817 0.847 . . . . 0.0 111.595 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -83.95 -18.77 36.19 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.76 81.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.401 1.08 . . . . 0.0 109.271 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.86 172.14 15.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.382 -168.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -138.53 -19.45 1.07 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.099 0.96 . . . . 0.0 110.668 -176.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 m -83.62 -9.46 58.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.274 1.03 . . . . 0.0 112.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.78 103.19 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-O 121.281 0.563 . . . . 0.0 110.308 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.1 85.45 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.02 135.75 56.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.477 -1.238 . . . . 0.0 113.183 -168.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -118.72 179.59 4.09 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -68.41 -43.28 77.58 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.16 -4.35 50.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 m -60.15 141.21 56.27 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.483 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 79.9 p -166.1 179.72 5.6 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.35 0.66 . . . . 0.0 109.749 -172.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.71 53.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.348 0.659 . . . . 0.0 111.79 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.53 -42.03 17.28 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 168.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' HB3' ' H ' ' A' ' 27' ' ' SER . 33.8 t70 -78.24 -17.69 56.37 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.688 1.195 . . . . 0.0 111.13 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 mt -121.7 108.37 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.99 -31.73 69.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.623 0.769 . . . . 0.0 111.077 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.45 -2.97 57.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.479 0.712 . . . . 0.0 112.278 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -82.96 76.03 9.82 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.36 167.99 0.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.388 1.475 . . . . 0.0 111.467 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -44.61 95.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.625 0.77 . . . . 0.0 109.625 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.0 -11.4 59.57 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.862 0.865 . . . . 0.0 111.759 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.2 m -66.05 -33.51 75.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -55.59 -40.59 72.21 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 123.842 0.713 . . . . 0.0 111.599 169.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.54 -32.58 70.46 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.083 0.401 . . . . 0.0 111.077 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -69.16 -36.49 77.43 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.493 0.717 . . . . 0.0 110.722 173.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.0 mm? -64.03 -52.91 57.21 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.13 0.572 . . . . 0.0 110.219 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -57.31 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.345 1.058 . . . . 0.0 110.338 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.4 -36.17 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 123.592 0.557 . . . . 0.0 111.741 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -65.77 -46.59 78.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.879 0.471 . . . . 0.0 111.262 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.502 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 80.0 mt -65.89 -40.41 91.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.978 0.418 . . . . 0.0 110.586 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.37 -53.04 62.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.704 0.802 . . . . 0.0 111.673 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.49 -41.9 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -66.18 -49.56 66.91 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.33 0.652 . . . . 0.0 111.466 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.539 ' HH ' HD23 ' A' ' 7' ' ' LEU . 75.1 m-85 -86.26 -11.96 50.89 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.261 0.625 . . . . 0.0 112.098 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.81 26.18 11.24 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 19.7 pt -95.72 174.74 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.231 0.612 . . . . 0.0 110.104 -172.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.94 110.27 7.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.7 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 2.1 p90 -128.25 156.95 42.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.583 0.753 . . . . 0.0 110.347 167.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.78 143.25 31.16 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.266 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.43 -26.67 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.87 -176.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.14 -42.43 95.2 Favored Glycine 0 CA--C 1.537 1.446 0 O-C-N 123.033 0.208 . . . . 0.0 112.842 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.551 0.74 . . . . 0.0 110.24 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.725 HD12 HD13 ' A' ' 62' ' ' LEU . 3.2 mm? -65.58 -34.81 79.1 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.727 0.811 . . . . 0.0 112.083 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -61.85 -24.57 66.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.131 0.573 . . . . 0.0 112.192 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.95 -11.97 42.9 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.663 0.785 . . . . 0.0 111.602 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.725 HD13 HD12 ' A' ' 59' ' ' LEU . 38.1 mt -88.34 98.27 11.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -23.28 26.6 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.554 1.142 . . . . 0.0 110.805 -171.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.44 174.79 13.92 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.573 0.349 . . . . 0.0 110.986 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 88.5 t -73.13 -10.71 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.334 1.054 . . . . 0.0 110.754 -175.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.42 -39.36 87.36 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.528 ' HB3' HD22 ' A' ' 62' ' ' LEU . 61.2 m-20 -66.41 -43.32 86.05 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 123.042 0.537 . . . . 0.0 109.87 172.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.0 mm? -63.66 -38.61 91.75 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.152 0.581 . . . . 0.0 111.775 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.579 ' HB2' ' HB ' ' A' ' 3' ' ' THR . . . -61.03 -52.46 64.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.058 0.543 . . . . 0.0 109.84 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 29.5 t70 -59.83 -51.62 68.95 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.145 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.566 ' HG ' HD11 ' A' ' 62' ' ' LEU . 1.9 tm? -56.32 -59.05 5.52 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.163 1.385 . . . . 0.0 111.905 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.589 HG23 HD22 ' A' ' 7' ' ' LEU . 77.6 t -57.96 -37.58 61.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.878 0.871 . . . . 0.0 110.504 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.38 -36.8 79.7 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.125 0.57 . . . . 0.0 111.591 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 2.5 mmmp? -63.49 -41.0 98.56 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.7 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 73.1 mmtt -70.3 -38.46 74.97 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.536 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 50' ' ' TYR . 69.8 mt -69.21 -29.44 67.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.65 0.78 . . . . 0.0 111.321 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.26 81.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.159 0.584 . . . . 0.0 110.019 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -69.91 -24.85 63.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.258 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 123.253 0.621 . . . . 0.0 112.058 178.429 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--O 1.214 -0.701 0 N-CA-C 111.461 -0.246 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 73' ' ' ASP . 68.7 p -64.36 -75.85 0.08 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.746 0.819 . . . . 0.0 113.1 -163.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.31 -38.24 86.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.576 0.75 . . . . 0.0 109.86 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.0 -50.5 72.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.58 1.175 . . . . 0.0 111.526 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.54 79.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.522 0.729 . . . . 0.0 110.842 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 72' ' ' VAL . 93.7 mt -66.96 -35.34 79.74 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.379 0.672 . . . . 0.0 110.998 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -53.6 -50.49 82.98 Favored Pre-proline 0 CA--C 1.576 1.961 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -171.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.34 -29.45 72.5 Favored 'Trans proline' 0 C--N 1.396 3.028 0 C-N-CA 122.426 2.084 . . . . 0.0 112.666 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.79 -46.4 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.312 0.645 . . . . 0.0 110.11 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -71.45 -45.12 63.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 0.0 110.005 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.69 -32.59 69.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.048 0.539 . . . . 0.0 112.01 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.26 -60.67 2.56 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.629 0.772 . . . . 0.0 110.289 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 42' ' ' LEU . 54.0 t -59.63 -47.88 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.834 1.254 . . . . 0.0 112.3 -171.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -88.23 -8.4 55.32 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.814 0.445 . . . . 0.0 111.43 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.19 52.39 2.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.554 1.141 . . . . 0.0 110.376 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -154.25 116.54 4.31 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.266 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.38 -11.34 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.892 0.877 . . . . 0.0 111.697 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m -82.42 -7.65 59.63 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.113 -0.367 . . . . 0.0 111.847 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.99 118.55 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.342 0.657 . . . . 0.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.69 97.25 4.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 HG22 ' A' ' 65' ' ' VAL . 74.9 mt -62.78 128.58 36.59 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.803 0.69 . . . . 0.0 111.891 -172.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -112.31 161.11 17.0 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -57.28 -46.58 82.99 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.627 0.371 . . . . 0.0 110.385 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.51 11.56 8.48 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 92.4 m -65.07 96.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.147 0.43 . . . . 0.0 110.88 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.6 p -105.08 -175.95 2.94 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.011 0.524 . . . . 0.0 110.406 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.19 -13.05 15.23 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.757 0.823 . . . . 0.0 112.754 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -86.05 -34.67 20.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 0.0 110.565 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -77.98 -24.79 47.91 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.112 0.565 . . . . 0.0 111.087 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.25 108.06 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.41 -36.78 85.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.086 0.555 . . . . 0.0 111.222 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.99 -5.64 42.56 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.637 0.775 . . . . 0.0 112.643 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -85.08 67.51 10.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.54 0.736 . . . . 0.0 110.058 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.86 171.65 13.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.475 0.71 . . . . 0.0 109.663 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.7 m -52.89 -36.28 59.12 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.69 -33.16 60.34 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.613 0.365 . . . . 0.0 111.043 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -69.24 -31.26 69.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.079 0.552 . . . . 0.0 111.177 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -56.72 -42.55 79.41 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.18 0.592 . . . . 0.0 110.809 170.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -62.54 -45.7 91.76 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.714 0.406 . . . . 0.0 110.845 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.5 -39.49 93.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.725 0.81 . . . . 0.0 111.05 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.584 ' HA ' HG22 ' A' ' 14' ' ' VAL . 2.7 tm? -60.45 -49.23 78.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.084 0.954 . . . . 0.0 110.783 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.5 mp -64.35 -53.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.526 -177.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.98 -29.04 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -64.93 -45.89 83.92 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.29 0.636 . . . . 0.0 111.208 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.52 -40.9 98.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.508 0.323 . . . . 0.0 111.463 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.8 mm-40 -60.0 -53.0 63.0 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.938 0.895 . . . . 0.0 111.477 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.43 -42.61 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -65.01 -51.46 61.51 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.258 0.623 . . . . 0.0 112.18 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -96.91 -1.85 44.98 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 58.15 33.75 23.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.236 1.014 . . . . 0.0 110.999 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.2 pt -98.27 175.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.427 0.691 . . . . 0.0 109.514 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -145.25 109.6 4.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.307 0.643 . . . . 0.0 110.192 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -81.75 134.11 35.41 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.38 136.18 33.17 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 167.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.83 -33.52 61.77 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.36 1.064 . . . . 0.0 111.958 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.39 -46.97 93.29 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.41 0.444 . . . . 0.0 113.003 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.39 -38.12 89.92 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.869 0.868 . . . . 0.0 110.195 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -67.44 -37.75 83.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.998 1.319 . . . . 0.0 111.605 -170.244 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.638 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -71.16 -19.14 62.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.8 -8.3 58.87 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.096 0.558 . . . . 0.0 110.963 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' HG ' ' A' ' 71' ' ' LEU . 25.0 mt -84.57 91.62 7.93 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -77.74 -27.64 50.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 110.661 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.49 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -159.65 -179.37 7.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 -176.25 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.457 HG22 HD21 ' A' ' 22' ' ' LEU . 91.8 t -67.6 -19.8 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 124.668 1.187 . . . . 0.0 110.897 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.76 -40.92 98.98 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.477 ' HB3' HD22 ' A' ' 62' ' ' LEU . 34.8 m-20 -69.51 -41.87 75.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.085 0.554 . . . . 0.0 110.831 174.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.98 -37.19 81.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.187 0.449 . . . . 0.0 110.836 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -56.29 23.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.407 0.683 . . . . 0.0 110.019 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.5 m-20 -61.34 -47.82 84.13 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.86 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.556 ' HG ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -69.12 -48.85 61.38 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.652 0.781 . . . . 0.0 111.798 -169.135 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.418 HG21 HD22 ' A' ' 7' ' ' LEU . 89.2 t -58.27 -38.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 122.95 0.5 . . . . 0.0 110.21 174.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.627 ' HB2' HG23 ' A' ' 3' ' ' THR . 16.8 t70 -70.86 -31.0 67.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.123 0.569 . . . . 0.0 111.048 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.4 mmmt -65.84 -35.67 81.33 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.3 mmtt -69.69 -39.49 76.93 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.445 0.698 . . . . 0.0 110.214 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 93.1 mt -68.54 -28.73 67.24 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.644 0.778 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.633 0.773 . . . . 0.0 110.159 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -73.98 -14.46 61.03 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.199 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.5 mmtt . . . . . 0 C--N 1.353 0.755 0 C-N-CA 122.508 0.323 . . . . 0.0 110.249 171.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.772 0.32 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -94.35 33.88 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.755 2.97 . . . . 0.0 111.883 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -76.94 -57.05 4.07 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.277 -164.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.67 -40.21 53.04 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 119.127 0.876 . . . . 0.0 111.619 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.97 -53.79 51.14 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.239 1.016 . . . . 0.0 111.268 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.54 65.86 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.022 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.61 -28.23 26.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.626 0.771 . . . . 0.0 111.742 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -55.83 -47.34 98.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.944 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.78 -33.6 96.16 Favored 'Trans proline' 0 C--N 1.387 2.598 0 C-N-CA 121.98 1.786 . . . . 0.0 112.837 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.8 mm -68.07 -49.82 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.11 0.564 . . . . 0.0 110.455 -177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.47 -38.49 77.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -61.74 -31.59 71.77 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.821 0.449 . . . . 0.0 111.1 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -75.78 -53.67 8.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.451 0.3 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.63 -53.92 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.38 -1.72 57.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.668 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.98 75.05 0.23 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.194 1.397 . . . . 0.0 111.572 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.38 168.64 26.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.69 -171.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -127.14 -26.97 3.03 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.16 0.984 . . . . 0.0 110.303 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -86.13 -15.56 40.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.026 0.93 . . . . 0.0 112.135 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.21 111.98 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.3 125.71 74.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD11 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -80.03 135.17 36.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.497 0.665 . . . . 0.0 111.628 -174.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.18 163.97 27.36 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -67.73 -15.53 63.68 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.02 -15.84 20.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.63 0.772 . . . . 0.0 111.779 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -65.32 129.74 40.82 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.69 0.396 . . . . 0.0 110.313 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 p -132.27 -176.29 4.03 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.876 0.87 . . . . 0.0 109.683 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' H ' H421 ' A' ' 88' ' ' PNS . . . -59.78 -32.78 70.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.293 0.637 . . . . 0.0 111.592 172.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -66.65 -26.23 66.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.153 0.581 . . . . 0.0 111.328 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.48 -21.55 41.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.238 0.615 . . . . 0.0 111.667 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.55 94.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.16 0.584 . . . . 0.0 110.134 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.48 94.04 1.24 Allowed 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 159.55 -41.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.493 1.917 . . . . 0.0 107.846 -166.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -77.25 115.55 17.12 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.119 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -135.82 -170.82 2.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.4 m -51.47 -51.84 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.722 1.209 . . . . 0.0 112.571 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -44.03 93.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.472 0.709 . . . . 0.0 110.336 -176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -73.28 -26.98 61.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.953 0.501 . . . . 0.0 111.899 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.531 ' HE1' ' S44' ' A' ' 88' ' ' PNS . 53.1 t60 -68.52 -40.9 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.411 1.085 . . . . 0.0 110.28 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.3 mmm -68.4 -38.19 81.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.925 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.61 -39.95 90.05 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.429 0.692 . . . . 0.0 110.392 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.33 -51.19 64.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.905 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.66 -43.48 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.498 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.55 -26.83 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.743 0.701 . . . . 0.0 111.776 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 m -65.26 -40.33 93.81 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.954 0.502 . . . . 0.0 110.569 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.05 -34.33 73.09 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.352 0.261 . . . . 0.0 110.747 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 62.8 mm-40 -60.77 -49.54 77.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.227 1.011 . . . . 0.0 110.881 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -76.7 -46.81 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -68.03 -57.59 5.9 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.548 0.739 . . . . 0.0 112.459 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' HB2' HG12 ' A' ' 52' ' ' ILE . 93.8 m-85 -92.96 -5.84 49.81 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.752 0.421 . . . . 0.0 111.493 -175.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HA ' ' HD1' ' A' ' 87' ' ' HIS . 12.7 mptt 66.57 19.79 10.83 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.6 1.16 . . . . 0.0 111.797 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 50' ' ' TYR . 28.9 pt -100.28 142.33 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.992 0.517 . . . . 0.0 110.558 -168.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -102.57 125.66 49.38 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.317 1.047 . . . . 0.0 110.861 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 98.2 m-85 -108.4 134.83 50.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.599 0.76 . . . . 0.0 109.261 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 146.56 24.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.3 tm? -60.58 -27.94 68.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.384 0.673 . . . . 0.0 110.3 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.25 -34.97 90.12 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 123.298 0.373 . . . . 0.0 112.708 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.5 mt-10 -79.97 -28.03 39.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.647 0.779 . . . . 0.0 110.584 176.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 62' ' ' LEU . 3.8 mm? -62.96 -35.22 79.41 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.503 0.721 . . . . 0.0 110.289 171.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.6 mm-40 -57.68 -24.67 57.9 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.392 0.677 . . . . 0.0 111.612 170.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -96.84 -11.76 24.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.201 1.0 . . . . 0.0 112.029 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 68' ' ' LEU . 85.6 mt -90.71 78.75 6.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.156 0.582 . . . . 0.0 110.365 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HA ' H382 ' A' ' 88' ' ' PNS . 1.8 tmtp? -86.81 -33.36 19.9 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -133.63 170.52 15.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.389 0.676 . . . . 0.0 109.941 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.431 HG11 HD11 ' A' ' 22' ' ' LEU . 41.5 t -69.44 -17.3 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 124.54 1.136 . . . . 0.0 110.729 174.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.65 86.74 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.98 -37.67 86.56 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.303 0.641 . . . . 0.0 110.172 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD23 HD23 ' A' ' 62' ' ' LEU . 4.3 mm? -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.307 0.379 . . . . 0.0 110.62 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.96 89.14 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.315 0.579 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 49.6 m-20 -64.41 -58.01 7.68 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.296 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.621 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.6 mm? -61.54 -55.46 30.64 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.45 1.094 . . . . 0.0 111.236 -170.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.7 -47.24 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.467 1.107 . . . . 0.0 110.647 175.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.92 -34.81 77.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 69.1 mmtt -68.27 -34.95 77.12 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 73.1 mmtt -72.89 -37.33 67.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 0.0 110.313 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -29.9 69.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.219 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.27 84.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.093 0.557 . . . . 0.0 109.726 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.1 mmm180 -71.71 -16.97 62.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.812 0.445 . . . . 0.0 110.862 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.8 mmtt -80.64 -25.89 38.05 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.11 0.564 . . . . 0.0 112.046 172.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.4 -33.07 70.95 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 169.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.85 110.14 3.19 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -62.01 81.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -161.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -142.01 82.52 1.8 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -104.2 121.74 43.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.298 0.639 . . . . 0.0 109.928 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -146.41 131.47 18.28 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -79.68 174.41 11.61 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.608 0.568 . . . . 0.0 111.954 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.487 ' HD1' ' HA ' ' A' ' 51' ' ' LYS . 30.9 m80 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.726 1.21 . . . . 0.0 108.586 170.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.531 ' S44' ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HB2' HG21 ' A' ' 3' ' ' THR . 23.0 ptt? . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -93.36 44.28 0.29 Allowed 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 123.326 2.684 . . . . 0.0 111.052 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 73' ' ' ASP . 82.4 p -64.08 -77.04 0.06 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.025 0.53 . . . . 0.0 111.918 -169.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.94 -36.14 82.44 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.52 -50.01 68.85 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.344 1.458 . . . . 0.0 112.904 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.68 40.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.418 0.687 . . . . 0.0 110.611 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.558 HD21 HG23 ' A' ' 72' ' ' VAL . 96.8 mt -71.36 -35.04 70.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.54 0.336 . . . . 0.0 111.125 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.7 m -53.9 -51.29 78.21 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.929 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.22 -30.44 91.25 Favored 'Trans proline' 0 C--N 1.387 2.564 0 C-N-CA 122.318 2.012 . . . . 0.0 113.166 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.49 -47.38 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.663 0.385 . . . . 0.0 110.341 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.03 -40.27 78.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.291 0.636 . . . . 0.0 109.943 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.94 -33.87 65.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.542 0.737 . . . . 0.0 111.945 173.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -79.81 -56.2 4.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.041 0.537 . . . . 0.0 111.402 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 42' ' ' LEU . 48.2 t -56.99 -55.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.514 1.125 . . . . 0.0 111.941 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -83.77 -15.77 47.24 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.28 80.88 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.36 1.064 . . . . 0.0 110.777 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -176.67 114.85 0.11 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.485 1.114 . . . . 0.0 109.048 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -77.72 -9.12 58.83 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.87 0.468 . . . . 0.0 111.525 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -82.41 -12.29 57.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.302 0.641 . . . . 0.0 111.336 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.47 117.83 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.648 0.779 . . . . 0.0 110.715 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.89 98.53 4.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 65' ' ' VAL . 93.5 mt -66.33 143.53 57.12 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.623 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -128.09 -179.3 4.91 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -56.57 -55.56 32.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.116 0.566 . . . . 0.0 110.256 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.21 15.62 20.47 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.792 0.837 . . . . 0.0 112.035 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.3 m -65.17 140.44 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 159.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.526 ' HA ' ' S44' ' A' ' 88' ' ' PNS . 99.7 p -166.42 -173.71 2.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.922 0.489 . . . . 0.0 110.278 -171.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -17.02 64.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -86.9 -37.75 17.36 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.256 0.622 . . . . 0.0 109.603 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.9 t70 -75.0 -18.47 60.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.551 0.741 . . . . 0.0 111.268 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -118.55 107.07 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.42 -38.29 90.59 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.781 0.832 . . . . 0.0 111.126 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -8.67 44.08 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.505 0.722 . . . . 0.0 112.843 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.449 ' CH2' ' S44' ' A' ' 88' ' ' PNS . 1.9 t-105 -74.33 111.51 9.57 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.439 ' H ' ' HB2' ' A' ' 38' ' ' SER . 20.9 t70 -117.13 169.23 9.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.205 1.402 . . . . 0.0 108.084 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -49.23 -53.6 20.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.712 0.805 . . . . 0.0 112.031 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -33.1 74.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.06 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.439 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 17.5 m -68.03 -35.48 78.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.318 0.647 . . . . 0.0 110.343 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.83 -41.44 91.78 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.937 0.895 . . . . 0.0 110.522 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -62.67 -41.62 99.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.44 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.6 -39.58 91.73 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.988 0.805 . . . . 0.0 110.493 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HA ' HG22 ' A' ' 14' ' ' VAL . 3.0 tm? -63.93 -51.51 64.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.412 0.685 . . . . 0.0 111.037 -177.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.38 -48.5 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.404 0.682 . . . . 0.0 110.435 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.58 -27.56 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -66.57 -39.65 88.59 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.513 0.508 . . . . 0.0 110.871 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.85 -36.16 77.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 7.3 mm-40 -64.84 -46.97 79.68 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.783 0.833 . . . . 0.0 111.267 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.98 -44.58 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -63.2 -59.15 5.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.916 0.486 . . . . 0.0 111.423 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -88.78 0.58 56.38 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.943 0.497 . . . . 0.0 111.12 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.293 0.0 OUTLIER 40.23 57.17 2.49 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.536 1.534 . . . . 0.0 112.596 -175.418 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 pt -115.62 -176.73 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.888 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -139.48 109.89 6.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.75 0.42 . . . . 0.0 110.827 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -86.7 139.88 30.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.278 0.631 . . . . 0.0 109.504 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.63 17.87 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD23 HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -57.48 -37.04 72.27 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.513 0.725 . . . . 0.0 110.658 178.679 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.21 90.32 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 123.696 0.623 . . . . 0.0 112.988 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HB3' HD11 ' A' ' 71' ' ' LEU . 46.6 mt-10 -79.21 -20.59 47.92 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.067 0.947 . . . . 0.0 111.53 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.586 HD12 HD23 ' A' ' 56' ' ' LEU . 73.8 mt -77.01 -31.38 56.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.862 0.465 . . . . 0.0 109.776 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -67.57 -18.98 65.2 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.245 0.618 . . . . 0.0 111.423 171.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.16 -13.86 59.46 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.834 0.454 . . . . 0.0 110.915 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 68' ' ' LEU . 68.1 mt -92.84 88.81 6.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.142 0.577 . . . . 0.0 110.141 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' A' ' 64' ' ' ASN . 1.3 tmtp? -85.5 -37.5 19.63 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 172.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.404 HD21 ' HD2' ' A' ' 63' ' ' LYS . 6.1 p30 -142.41 174.64 10.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 22' ' ' LEU . 45.1 t -72.39 -17.38 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.62 1.168 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.1 90.64 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 168.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -71.2 -35.58 71.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.167 0.587 . . . . 0.0 110.591 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 62' ' ' LEU . 3.8 mm? -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 169.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.05 87.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.073 0.549 . . . . 0.0 110.081 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 39.7 m-20 -64.87 -51.62 61.03 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.714 175.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.73 -52.51 60.17 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.111 0.964 . . . . 0.0 110.662 -169.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.558 HG23 HD21 ' A' ' 7' ' ' LEU . 79.4 t -61.33 -35.9 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.815 0.846 . . . . 0.0 110.865 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.505 ' HB2' HG22 ' A' ' 3' ' ' THR . 19.7 t70 -69.62 -27.93 65.49 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.499 0.32 . . . . 0.0 111.238 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.5 mmmm -73.42 -28.26 61.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.704 0.402 . . . . 0.0 110.018 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 73.6 mmtt -74.99 -35.96 62.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.08 0.552 . . . . 0.0 109.978 172.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.4 mt -73.62 -20.23 60.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.397 0.679 . . . . 0.0 109.986 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.79 76.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.003 0.521 . . . . 0.0 109.877 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 36.2 mmt180 -69.1 -29.99 68.2 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.437 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 32.3 mmtp -84.04 -49.36 8.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.774 0.43 . . . . 0.0 110.768 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 6.06 6.86 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.978 0.911 . . . . 0.0 110.872 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.56 106.5 0.35 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 162.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -127.34 84.55 2.27 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.507 1.123 . . . . 0.0 108.081 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -99.72 130.98 45.98 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 109.319 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -170.53 -55.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -65.75 128.02 34.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.13 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 67.51 -69.2 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.106 1.362 . . . . 0.0 110.886 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 169.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.526 ' S44' ' HA ' ' A' ' 27' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -94.22 20.35 0.66 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.438 2.759 . . . . 0.0 112.545 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 40.7 p -68.48 -63.26 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 124.118 0.967 . . . . 0.0 113.16 -163.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -50.68 -41.37 55.67 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.565 0.746 . . . . 0.0 111.344 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.55 -48.93 68.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.029 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.1 73.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.449 0.7 . . . . 0.0 111.793 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.489 HD21 ' HH ' ' A' ' 50' ' ' TYR . 87.2 mt -80.76 -19.15 45.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.548 0.739 . . . . 0.0 110.426 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.497 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 32.6 m -55.56 -53.94 56.88 Favored Pre-proline 0 CA--C 1.57 1.732 0 CA-C-O 117.747 -1.12 . . . . 0.0 111.966 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 33.6 Cg_exo -61.0 -30.32 89.62 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 122.42 2.08 . . . . 0.0 113.156 175.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.35 -58.39 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.322 0.649 . . . . 0.0 110.374 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.26 -42.55 93.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.292 0.637 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.14 -36.41 70.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.905 0.482 . . . . 0.0 111.87 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -76.45 -51.97 10.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 122.318 -0.239 . . . . 0.0 111.154 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG11 HD21 ' A' ' 42' ' ' LEU . 53.9 t -53.77 -55.02 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.454 1.102 . . . . 0.0 112.123 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -80.34 -15.49 56.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.022 0.529 . . . . 0.0 111.317 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.12 74.84 0.42 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 124.705 1.202 . . . . 0.0 108.983 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -163.84 -175.53 4.13 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.667 -167.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.36 -28.6 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.845 0.858 . . . . 0.0 109.717 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 m -75.63 -14.4 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.709 0.804 . . . . 0.0 112.147 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.69 117.55 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.345 0.658 . . . . 0.0 109.833 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.22 109.79 27.68 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.17 128.32 35.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.666 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -126.73 165.95 18.3 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -31.75 68.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 122.759 0.424 . . . . 0.0 111.853 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.54 -17.65 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 65' ' ' VAL . 61.2 m -61.5 116.44 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.983 0.513 . . . . 0.0 111.77 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.4 p -126.22 -175.41 3.36 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.487 0.715 . . . . 0.0 109.711 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.11 63.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -78.61 -24.96 45.1 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.071 0.396 . . . . 0.0 110.866 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.8 -19.63 48.08 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.724 0.81 . . . . 0.0 111.268 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.92 109.07 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.62 -29.42 70.61 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.305 1.042 . . . . 0.0 111.527 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.63 -19.36 61.46 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -80.98 114.05 19.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.589 0.755 . . . . 0.0 110.354 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.42 176.87 5.66 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.178 1.391 . . . . 0.0 108.68 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -56.98 -34.0 67.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.46 0.704 . . . . 0.0 110.569 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -42.99 93.13 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.28 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 m -66.57 -29.59 69.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.657 0.383 . . . . 0.0 110.666 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.526 ' NE2' H313 ' A' ' 88' ' ' PNS . 82.0 m-70 -62.74 -44.1 97.08 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.71 0.631 . . . . 0.0 110.791 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.3 -42.04 76.91 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 120.849 0.357 . . . . 0.0 110.643 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -68.39 -35.27 77.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.281 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.412 HD21 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -58.87 -58.98 6.24 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.502 0.721 . . . . 0.0 110.628 176.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.05 -52.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.224 0.953 . . . . 0.0 110.366 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.29 -31.23 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 m -67.86 -43.72 78.78 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.786 0.434 . . . . 0.0 110.673 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.3 mt -66.86 -32.98 74.61 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.24 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 13.8 mm-40 -65.33 -57.63 7.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.152 0.981 . . . . 0.0 110.306 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.84 -38.01 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -171.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -72.78 -54.9 7.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.858 0.463 . . . . 0.0 112.11 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' HH ' HD21 ' A' ' 7' ' ' LEU . 80.2 m-85 -86.71 -17.19 34.27 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.618 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 0.2 OUTLIER 55.39 48.31 19.35 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.528 1.131 . . . . 0.0 110.342 -171.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 50' ' ' TYR . 17.7 pt -117.23 -176.29 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.949 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -126.52 123.5 37.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.473 0.709 . . . . 0.0 109.923 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CE2' HD11 ' A' ' 71' ' ' LEU . 96.7 m-85 -117.76 131.59 56.57 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 167.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB2' ' HG3' ' A' ' 58' ' ' GLU . . . -98.41 138.55 35.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 2.9 tm? -60.12 -27.64 67.21 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.484 0.714 . . . . 0.0 109.753 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.31 95.36 Favored Glycine 0 C--N 1.354 1.537 0 O-C-N 123.449 0.468 . . . . 0.0 113.036 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 42.8 mt-10 -66.58 -37.39 84.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.373 0.669 . . . . 0.0 110.082 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD11 HD13 ' A' ' 62' ' ' LEU . 4.4 mm? -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.565 0.746 . . . . 0.0 111.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 23.8 mm-40 -62.91 -28.67 70.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.768 0.427 . . . . 0.0 111.051 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -81.03 -18.66 45.99 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.502 0.721 . . . . 0.0 110.57 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.699 HD13 HD11 ' A' ' 59' ' ' LEU . 30.2 mt -91.89 107.8 19.47 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.214 0.605 . . . . 0.0 110.173 -173.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -83.92 -27.38 28.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.579 0.751 . . . . 0.0 111.734 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -159.8 -175.06 4.92 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 54.3 t -72.03 -13.11 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.483 1.113 . . . . 0.0 110.576 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.63 -36.59 48.13 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 169.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' HB3' HD22 ' A' ' 62' ' ' LEU . 13.4 m-20 -69.97 -35.91 74.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.928 0.491 . . . . 0.0 110.261 171.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm? -65.79 -32.95 74.77 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.471 0.482 . . . . 0.0 110.174 169.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.71 88.1 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 55.0 m-20 -59.36 -58.2 9.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.262 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.525 1.13 . . . . 0.0 111.786 -164.352 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.401 HG21 ' HZ ' ' A' ' 54' ' ' PHE . 95.8 t -60.74 -40.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.168 0.587 . . . . 0.0 110.558 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.92 -31.1 71.47 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.246 0.218 . . . . 0.0 111.004 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 70.3 mmtt -63.62 -43.69 96.12 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.65 0.594 . . . . 0.0 109.575 177.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -68.2 -46.84 69.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.334 0.654 . . . . 0.0 110.36 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.35 -23.71 64.72 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 0.0 111.206 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.39 -41.47 76.42 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.373 0.669 . . . . 0.0 110.965 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.7 mmt180 -73.76 -29.94 62.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.278 0.631 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -84.09 -70.73 0.55 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 54.33 -84.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.343 1.457 . . . . 0.0 109.752 -170.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 63.78 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.361 1.076 0 C-N-CA 124.732 1.213 . . . . 0.0 109.49 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -104.72 170.96 7.58 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.372 1.069 . . . . 0.0 109.493 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -73.38 -27.18 61.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.072 0.549 . . . . 0.0 111.322 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 64.86 28.51 12.75 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.11 0.957 . . . . 0.0 109.438 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 72.31 -52.94 0.7 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.599 1.96 . . . . 0.0 111.05 -173.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 67.99 90.85 0.09 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.998 1.319 . . . . 0.0 111.556 167.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.362 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.526 H313 ' NE2' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.98 0 CA-C-O 120.938 0.399 . . . . 0.0 110.212 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -96.17 33.02 0.15 Allowed 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 123.227 2.618 . . . . 0.0 110.787 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 m -61.54 -50.45 72.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.857 0.863 . . . . 0.0 112.284 -161.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.23 -53.16 61.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.426 0.69 . . . . 0.0 111.5 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.79 -29.11 63.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.698 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.46 71.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.241 0.616 . . . . 0.0 110.928 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.72 -28.87 62.92 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.543 0.737 . . . . 0.0 110.123 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -54.48 -48.31 95.3 Favored Pre-proline 0 CA--C 1.57 1.737 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -172.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.48 -26.3 76.3 Favored 'Trans proline' 0 C--N 1.394 2.952 0 C-N-CA 122.444 2.096 . . . . 0.0 113.436 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.62 -48.99 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-O 121.508 0.67 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.25 -42.28 72.4 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.294 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.484 HH21 HG22 ' A' ' 21' ' ' VAL . 96.6 mtt180 -58.56 -42.35 87.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 0.0 111.226 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.02 -49.03 79.46 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.003 0.815 . . . . 0.0 110.485 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG22 HD11 ' A' ' 42' ' ' LEU . 67.8 t -54.88 -52.72 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.171 0.988 . . . . 0.0 112.078 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.37 1.88 56.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -172.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 58.2 21.45 8.1 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.516 1.127 . . . . 0.0 111.036 -174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.77 172.87 6.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.93 0.892 . . . . 0.0 110.412 -169.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -144.0 -22.19 0.57 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.716 0.807 . . . . 0.0 110.871 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.9 m -76.49 -17.94 59.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.737 0.815 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.578 HG12 HD11 ' A' ' 31' ' ' ILE . 64.6 mt -69.06 106.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG22 HH21 ' A' ' 12' ' ' ARG . 77.1 t -118.23 111.76 35.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.558 HD13 HG11 ' A' ' 65' ' ' VAL . 74.6 mt -73.11 140.13 46.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.762 0.791 . . . . 0.0 111.837 -171.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 172.17 13.07 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.541 -1.663 . . . . 0.0 106.882 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.07 -28.62 64.72 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 9.08 12.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.0 m -60.17 134.51 57.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 168.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.442 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 88.9 p -154.96 176.47 12.48 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.525 0.678 . . . . 0.0 111.296 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.75 -10.29 59.53 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.676 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -95.51 -32.42 12.87 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.677 0.791 . . . . 0.0 109.052 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.1 t70 -64.6 -26.71 68.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.955 1.302 . . . . 0.0 112.446 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.578 HD11 HG12 ' A' ' 20' ' ' ILE . 75.6 mt -125.89 126.04 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.454 0.702 . . . . 0.0 110.005 -172.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.25 -35.07 77.35 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.022 0.929 . . . . 0.0 111.567 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.73 -15.63 63.01 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.909 0.883 . . . . 0.0 112.448 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -89.65 123.75 33.97 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.52 0.728 . . . . 0.0 109.603 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.19 139.55 50.63 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.766 1.226 . . . . 0.0 110.505 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -36.09 -61.33 0.5 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.005 1.722 . . . . 0.0 114.014 170.673 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.72 -29.02 69.83 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.458 0.703 . . . . 0.0 112.062 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -74.1 -18.27 60.83 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.046 0.539 . . . . 0.0 111.904 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' HA ' HD22 ' A' ' 42' ' ' LEU . 23.4 m-70 -52.0 -36.16 49.05 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.301 171.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.7 mmm -61.51 -31.64 71.64 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.69 -35.63 81.65 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.641 0.588 . . . . 0.0 110.49 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.9 mm? -65.13 -54.71 25.66 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.738 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -51.46 -57.95 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 124.369 1.043 . . . . 0.0 110.313 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.78 -33.79 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.43 0.456 . . . . 0.0 112.014 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -70.34 -38.81 74.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.117 0.567 . . . . 0.0 111.643 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 50.4 mt -70.35 -36.94 74.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.956 0.502 . . . . 0.0 110.007 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 11.0 mm-40 -61.34 -52.1 66.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.366 1.066 . . . . 0.0 110.74 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.03 -43.33 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -67.74 -48.23 67.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.188 0.595 . . . . 0.0 111.2 -177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.05 -5.2 48.01 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.718 ' HZ1' ' HB2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 60.73 27.13 16.89 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.595 1.158 . . . . 0.0 110.932 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 pt -100.53 177.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -148.04 106.43 3.77 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.702 0.287 . . . . 0.0 111.135 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.66 141.36 30.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.286 0.634 . . . . 0.0 109.574 172.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.66 159.87 15.65 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 162.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -62.13 -26.3 68.23 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.064 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.21 -33.86 88.39 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 120.251 -0.194 . . . . 0.0 112.908 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 5.1 mm-40 -69.17 -42.14 76.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.292 0.637 . . . . 0.0 109.543 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 62' ' ' LEU . 4.0 mm? -54.23 -45.85 72.4 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.576 1.151 . . . . 0.0 111.498 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 19.1 mm-40 -55.02 -26.21 35.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.206 1.002 . . . . 0.0 112.768 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -97.49 -9.02 27.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.549 0.74 . . . . 0.0 111.951 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 59' ' ' LEU . 75.2 mt -83.79 89.46 7.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.303 0.641 . . . . 0.0 109.452 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.572 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 4.9 ttmp? -87.92 -33.48 18.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.115 0.566 . . . . 0.0 110.391 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -141.13 176.17 9.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.162 0.985 . . . . 0.0 108.93 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.558 HG11 HD13 ' A' ' 22' ' ' LEU . 61.2 t -69.58 -16.41 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 124.459 1.104 . . . . 0.0 111.263 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.98 90.61 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.12 -41.6 97.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.396 0.678 . . . . 0.0 110.629 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.74 -45.58 85.63 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.57 73.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.096 0.558 . . . . 0.0 110.99 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 14.6 t70 -66.0 -60.96 2.32 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.969 0.793 . . . . 0.0 110.462 174.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.86 -46.2 82.88 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.699 0.399 . . . . 0.0 112.008 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.94 -44.68 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.569 0.748 . . . . 0.0 110.099 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.97 -41.55 92.2 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.633 0.773 . . . . 0.0 112.19 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 39.2 mmtm -67.76 -39.13 84.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 123.652 0.595 . . . . 0.0 111.175 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.44 -26.28 38.46 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.683 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -18.65 42.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.555 0.742 . . . . 0.0 110.928 171.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.59 -34.66 72.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.982 0.513 . . . . 0.0 109.845 166.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -77.39 -27.93 52.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.801 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -85.08 -59.0 2.46 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.894 0.477 . . . . 0.0 110.836 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt 72.91 -6.17 1.74 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.485 1.914 . . . . 0.0 113.278 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 58.77 -84.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.845 1.258 . . . . 0.0 110.804 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -119.3 108.37 14.53 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -49.78 -56.88 8.66 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.729 1.268 . . . . 0.0 112.115 -169.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.9 m80 60.23 -156.67 0.34 Allowed 'General case' 0 CA--C 1.557 1.213 0 O-C-N 124.116 0.885 . . . . 0.0 110.066 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 72.6 -75.82 0.07 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.181 1.392 . . . . 0.0 110.185 173.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -143.14 -70.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.877 0.871 . . . . 0.0 109.802 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.11 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -93.86 49.01 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.885 3.057 . . . . 0.0 110.944 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.406 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 57.1 p -63.66 -63.82 1.07 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.045 -171.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.414 HD11 ' HG2' ' A' ' 24' ' ' ARG . 87.8 mt -60.62 -39.77 89.41 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.528 0.731 . . . . 0.0 110.75 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.44 -41.77 76.99 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.106 0.962 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.25 -34.18 49.23 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 0.0 111.158 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD21 HG22 ' A' ' 72' ' ' VAL . 93.2 mt -71.15 -32.9 69.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.089 0.556 . . . . 0.0 111.175 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -53.39 -54.75 41.87 Favored Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.512 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.04 -25.55 51.38 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 122.253 1.968 . . . . 0.0 113.19 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 14' ' ' VAL . 45.4 mm -65.56 -52.28 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.768 0.427 . . . . 0.0 109.867 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.42 -40.57 96.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.34 -28.55 69.3 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.092 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -78.08 -53.31 7.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.989 0.515 . . . . 0.0 110.494 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 42' ' ' LEU . 62.7 t -51.78 -56.28 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.724 1.21 . . . . 0.0 112.47 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.39 -12.42 56.5 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.634 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.76 64.6 1.14 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.779 1.232 . . . . 0.0 110.088 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -164.3 118.58 1.44 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -8.61 58.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.656 0.782 . . . . 0.0 110.604 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 m -79.5 -11.19 59.9 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.664 0.386 . . . . 0.0 111.561 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.85 117.72 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.287 0.635 . . . . 0.0 110.594 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.65 106.55 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD13 HG13 ' A' ' 65' ' ' VAL . 84.7 mt -77.05 141.83 40.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 111.528 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 p -122.73 177.03 5.63 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 164.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HG2' HD11 ' A' ' 4' ' ' LEU . 42.7 mtm180 -68.61 -45.86 70.82 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 122.144 -0.348 . . . . 0.0 110.837 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.09 5.95 8.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 65' ' ' VAL . 97.9 m -63.32 95.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.855 0.862 . . . . 0.0 111.191 173.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -92.04 177.02 6.29 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -14.17 42.09 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.1 -30.8 55.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.889 0.876 . . . . 0.0 110.523 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.88 -31.2 69.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.963 0.905 . . . . 0.0 111.199 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.58 110.61 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -67.37 -26.44 66.47 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.271 0.628 . . . . 0.0 111.846 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.35 60.0 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.145 0.578 . . . . 0.0 112.357 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -82.89 70.99 9.99 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.387 0.675 . . . . 0.0 110.734 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.97 167.27 21.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.306 1.042 . . . . 0.0 109.74 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -52.89 -37.51 60.65 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.136 0.974 . . . . 0.0 111.98 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.06 -39.04 93.21 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 110.114 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -31.36 70.79 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.506 0.722 . . . . 0.0 110.997 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.631 ' HE1' H422 ' A' ' 88' ' ' PNS . 86.4 m-70 -60.98 -42.07 97.67 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.505 0.722 . . . . 0.0 110.839 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.2 mmm -61.49 -46.52 89.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.572 0.545 . . . . 0.0 110.61 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.66 -42.86 93.81 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.8 tm? -62.82 -48.39 79.27 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.657 1.183 . . . . 0.0 111.109 -177.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.514 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 30.4 mm -69.85 -47.79 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.877 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.87 -24.96 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.115 0.416 . . . . 0.0 111.986 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -65.62 -46.33 79.71 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.606 168.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.0 -36.71 84.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.65 0.38 . . . . 0.0 110.943 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 8.9 mm-40 -62.16 -54.15 45.23 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.982 0.913 . . . . 0.0 110.369 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.01 -44.21 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -66.38 -54.56 22.97 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.149 0.579 . . . . 0.0 112.141 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -92.56 -4.92 52.7 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? 62.2 27.77 16.67 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.425 1.09 . . . . 0.0 111.172 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 pt -102.46 -176.38 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.453 0.701 . . . . 0.0 111.203 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -133.19 132.95 42.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.869 0.868 . . . . 0.0 110.286 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HZ ' HG21 ' A' ' 72' ' ' VAL . 97.7 m-85 -128.23 142.6 51.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.302 0.641 . . . . 0.0 109.388 164.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.14 153.01 22.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.96 -28.77 68.54 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.3 94.6 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 123.306 0.379 . . . . 0.0 112.466 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.9 mt-10 -66.09 -40.62 90.93 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.133 0.573 . . . . 0.0 110.141 174.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.41 HD11 HD13 ' A' ' 43' ' ' ILE . 4.5 mm? -58.45 -35.54 72.31 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.306 1.042 . . . . 0.0 112.34 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.599 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -69.68 -23.68 63.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.81 0.444 . . . . 0.0 111.397 178.122 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.42 -9.76 31.81 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 0.0 111.37 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.575 HD22 ' HG ' ' A' ' 71' ' ' LEU . 98.2 mt -88.43 102.66 15.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HA ' H382 ' A' ' 88' ' ' PNS . 12.8 tmtt? -89.68 -27.86 19.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.993 0.517 . . . . 0.0 110.035 -175.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -157.84 178.94 9.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.036 0.534 . . . . 0.0 111.982 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 22' ' ' LEU . 41.9 t -68.02 -16.75 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.454 1.101 . . . . 0.0 111.315 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -38.02 56.97 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 34.2 m-20 -63.84 -41.33 97.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 169.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.78 -31.37 72.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.066 0.546 . . . . 0.0 111.718 174.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -51.17 67.43 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.664 0.665 . . . . 0.0 109.811 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 12.5 m-20 -65.69 -41.04 92.88 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.926 176.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.575 ' HG ' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.59 -55.05 9.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.269 0.628 . . . . 0.0 110.535 -170.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.505 HG22 HD21 ' A' ' 7' ' ' LEU . 95.6 t -54.85 -37.14 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.667 0.787 . . . . 0.0 110.334 174.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.52 -40.55 97.11 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.252 0.621 . . . . 0.0 111.431 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.7 mmmm -64.43 -39.91 94.74 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.474 0.484 . . . . 0.0 109.702 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 71.5 mmtt -68.51 -45.84 71.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.849 0.86 . . . . 0.0 110.539 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.76 -36.72 85.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.671 0.788 . . . . 0.0 110.504 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.59 81.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.648 0.779 . . . . 0.0 110.97 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.27 -34.66 73.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.171 0.588 . . . . 0.0 111.238 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.6 mmtt -70.15 -17.39 63.18 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.688 0.795 . . . . 0.0 111.922 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.71 94.38 0.44 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 166.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.54 -49.13 77.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.862 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -167.12 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.867 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -157.29 143.79 18.06 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.98 0.512 . . . . 0.0 110.816 -174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -166.56 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -160.72 80.46 0.64 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.141 0.576 . . . . 0.0 109.992 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -157.07 142.45 17.34 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.337 1.455 . . . . 0.0 108.491 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 173.59 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.631 H422 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' HG21 ' A' ' 3' ' ' THR . 23.7 ptt? . . . . . 0 CA--C 1.555 1.141 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -96.17 44.78 0.14 Allowed 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.413 2.742 . . . . 0.0 111.558 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.519 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 31.3 p -62.03 -75.74 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.983 0.913 . . . . 0.0 112.731 -168.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.74 -30.03 71.18 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.815 0.446 . . . . 0.0 110.432 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -55.12 -42.83 73.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.906 0.882 . . . . 0.0 111.59 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.35 20.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.623 0.769 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.02 -39.39 66.02 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.715 0.406 . . . . 0.0 111.65 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -56.57 -50.17 89.34 Favored Pre-proline 0 N--CA 1.485 1.294 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.256 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.99 -27.31 74.24 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 121.779 1.653 . . . . 0.0 113.233 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -70.35 -41.79 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.49 -42.67 87.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.397 0.679 . . . . 0.0 110.363 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.99 -25.19 67.48 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.967 0.507 . . . . 0.0 111.475 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.4 -60.73 1.99 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.199 0.6 . . . . 0.0 111.234 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.21 -44.17 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 124.43 1.092 . . . . 0.0 111.534 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -90.39 -17.56 27.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.093 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.07 80.77 0.17 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.207 1.003 . . . . 0.0 110.841 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.43 108.91 0.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.2 -17.66 61.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.368 0.667 . . . . 0.0 111.891 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -79.24 -6.52 56.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.19 -0.319 . . . . 0.0 111.121 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.51 109.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 172.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.32 101.27 11.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD12 HG11 ' A' ' 65' ' ' VAL . 83.6 mt -71.14 135.11 47.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.053 0.454 . . . . 0.0 111.871 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.2 p -130.22 157.5 42.32 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.0 -29.02 70.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.26 15.36 29.02 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -70.35 132.61 45.91 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 167.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -130.46 -175.01 3.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.577 0.626 . . . . 0.0 110.083 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.69 64.39 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.25 -36.89 61.23 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.32 -9.66 59.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.395 0.678 . . . . 0.0 111.518 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -125.84 106.25 15.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.53 -38.66 69.54 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.541 1.136 . . . . 0.0 112.914 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 12.37 22.5 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.242 0.617 . . . . 0.0 112.483 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -88.03 74.84 8.83 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.307 0.575 . . . . 0.0 109.513 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.32 162.68 24.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.187 0.995 . . . . 0.0 111.151 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -35.19 64.25 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.144 0.978 . . . . 0.0 110.922 173.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.69 -35.97 73.06 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.249 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -65.75 -35.43 80.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' HE1' H422 ' A' ' 88' ' ' PNS . 82.7 m-70 -54.55 -48.28 72.23 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 123.975 0.797 . . . . 0.0 110.978 170.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.1 mmm -59.37 -43.29 92.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.13 0.572 . . . . 0.0 111.259 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -67.84 -44.44 77.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.888 0.875 . . . . 0.0 111.383 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.59 -43.95 88.14 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.99 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.659 1.183 . . . . 0.0 110.846 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.93 -29.63 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 O-C-N 123.485 0.49 . . . . 0.0 111.457 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -61.1 -46.51 90.3 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.198 0.599 . . . . 0.0 110.796 173.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 52.0 mt -65.36 -42.14 93.1 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.8 -51.14 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.89 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.49 -40.82 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.14 -50.27 49.39 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.493 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 89.3 m-85 -82.88 -8.93 59.53 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.32 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 67.45 26.29 8.32 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.052 1.341 . . . . 0.0 111.205 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 pt -101.38 171.27 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.202 1.001 . . . . 0.0 110.412 -175.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -145.99 131.38 18.62 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.033 0.533 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -131.68 157.04 44.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.293 1.037 . . . . 0.0 110.134 174.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.34 156.8 17.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.11 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -25.59 65.8 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.45 0.7 . . . . 0.0 109.322 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.99 92.84 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 116.691 -0.231 . . . . 0.0 112.685 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 46.5 mt-10 -72.51 -28.65 63.01 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.325 0.65 . . . . 0.0 110.873 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.686 HD12 HD11 ' A' ' 62' ' ' LEU . 4.3 mm? -68.85 -30.4 68.92 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.705 0.802 . . . . 0.0 111.048 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.39 -22.34 61.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.585 0.354 . . . . 0.0 110.585 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.57 -5.48 58.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.527 0.731 . . . . 0.0 111.44 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.686 HD11 HD12 ' A' ' 59' ' ' LEU . 25.8 mt -103.78 126.15 50.72 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -109.23 -26.09 10.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -135.07 173.87 11.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.421 0.688 . . . . 0.0 111.478 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.484 HG11 HD12 ' A' ' 22' ' ' LEU . 39.7 t -64.9 -31.6 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.871 1.269 . . . . 0.0 110.576 172.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.93 79.93 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.274 0.359 . . . . 0.0 112.278 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.98 -41.64 86.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.915 0.486 . . . . 0.0 109.746 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.35 -27.73 65.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.969 0.908 . . . . 0.0 111.429 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.519 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -73.46 -45.92 51.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.903 0.881 . . . . 0.0 108.969 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 16.4 t70 -60.85 -36.8 80.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.096 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 62' ' ' LEU . 2.6 tm? -63.65 -55.12 25.97 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.241 1.017 . . . . 0.0 109.973 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 84.6 t -59.28 -36.97 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 123.835 0.709 . . . . 0.0 109.67 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.58 -42.72 97.25 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.764 1.225 . . . . 0.0 111.587 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 42.9 mmtm -69.76 -33.97 73.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.758 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 74.3 mmtt -71.01 -40.98 71.48 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.733 0.813 . . . . 0.0 110.423 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 94.7 mt -64.47 -31.99 73.44 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.03 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 80' ' ' LEU . . . -69.12 -33.31 73.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.115 0.566 . . . . 0.0 110.783 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 29.6 mmt180 -64.42 -24.42 67.62 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.597 0.359 . . . . 0.0 110.329 173.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 62.9 mttm -91.75 -31.55 15.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.671 0.789 . . . . 0.0 110.991 175.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 76' ' ' LEU . 3.7 mm? -87.43 44.48 1.19 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.796 1.238 . . . . 0.0 109.602 -175.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.75 48.28 1.51 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.596 1.158 . . . . 0.0 109.92 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -88.01 69.07 9.34 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -76.38 82.18 3.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -78.47 9.09 4.25 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.258 1.023 . . . . 0.0 111.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 m80 69.04 27.51 5.34 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.821 1.248 . . . . 0.0 112.383 168.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -139.04 141.74 38.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.688 0.795 . . . . 0.0 109.306 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 . . . . . 0 CA--C 1.557 1.229 0 C-N-CA 124.788 1.235 . . . . 0.0 110.316 -176.611 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.493 H422 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -96.92 47.77 0.11 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.785 2.99 . . . . 0.0 111.226 -175.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -66.51 -28.0 68.21 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -170.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.88 -52.12 4.75 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.348 0.659 . . . . 0.0 109.79 168.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.57 -51.22 70.83 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.714 1.206 . . . . 0.0 113.678 -169.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.61 79.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.536 0.735 . . . . 0.0 110.746 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.436 HD11 HG21 ' A' ' 72' ' ' VAL . 41.5 mt -75.86 -24.46 55.75 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.084 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -56.05 -48.81 96.01 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.51 -173.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 -24.31 77.28 Favored 'Trans proline' 0 C--N 1.398 3.142 0 C-N-CA 122.653 2.235 . . . . 0.0 113.487 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.95 -43.91 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.498 0.719 . . . . 0.0 109.587 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' HD1' ' O ' ' A' ' 7' ' ' LEU . 22.1 m-85 -69.08 -41.99 76.79 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.053 0.541 . . . . 0.0 109.886 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.33 -25.96 68.54 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.121 0.568 . . . . 0.0 111.768 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -75.14 -55.49 5.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.056 0.543 . . . . 0.0 110.249 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.3 t -62.56 -53.97 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.974 . . . . 0.0 111.72 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -89.04 -13.09 39.52 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.542 0.737 . . . . 0.0 111.824 -173.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 54.75 66.29 1.27 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.93 1.292 . . . . 0.0 110.79 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -154.44 101.43 2.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.752 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.93 -10.35 59.71 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 0.0 111.825 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 p -86.95 1.19 53.53 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.096 -0.377 . . . . 0.0 110.932 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.62 107.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.71 102.5 12.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 65' ' ' VAL . 69.1 mt -65.95 139.26 58.23 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.924 0.868 . . . . 0.0 112.14 -167.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 p -125.44 168.8 13.1 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -68.48 -21.54 64.61 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.61 -4.93 46.87 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -59.74 111.15 1.34 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.8 0.44 . . . . 0.0 110.541 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 4.1 m -126.49 173.89 9.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.17 0.588 . . . . 0.0 110.297 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.25 92.15 8.97 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.599 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 8.5 t30 158.81 -63.76 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -146.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.43 -14.21 59.75 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.744 1.218 . . . . 0.0 111.558 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.16 121.77 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.68 -35.25 62.77 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.263 1.025 . . . . 0.0 111.236 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 -5.07 42.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.985 0.914 . . . . 0.0 112.774 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -87.06 71.78 10.14 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.995 0.918 . . . . 0.0 109.695 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.64 167.2 13.54 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.595 1.158 . . . . 0.0 111.777 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -46.98 -57.82 4.61 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.982 1.313 . . . . 0.0 112.082 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.3 -34.12 75.58 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.293 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -64.28 -40.23 95.55 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 110.137 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' HE1' ' S44' ' A' ' 88' ' ' PNS . 85.6 t60 -63.53 -42.41 98.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.639 1.176 . . . . 0.0 110.927 175.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -66.5 -35.52 80.45 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.132 0.573 . . . . 0.0 110.924 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.55 -37.55 87.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 124.051 0.845 . . . . 0.0 109.934 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.528 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.3 tm? -65.23 -45.5 84.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.333 0.653 . . . . 0.0 110.646 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.718 HG12 HD13 ' A' ' 59' ' ' LEU . 1.6 mp -62.0 -48.94 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.199 0.6 . . . . 0.0 110.839 -178.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.3 -21.85 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.505 0.322 . . . . 0.0 111.793 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -64.87 -44.47 89.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.721 0.408 . . . . 0.0 110.917 170.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.95 -33.44 76.04 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.623 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.52 -53.19 55.76 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.153 0.981 . . . . 0.0 111.145 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.95 -42.75 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -67.17 -62.86 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.373 0.669 . . . . 0.0 111.572 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.444 ' HB2' HG12 ' A' ' 52' ' ' ILE . 97.3 m-85 -92.31 -10.65 37.59 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -167.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 64.47 21.43 12.46 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.212 1.005 . . . . 0.0 111.615 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 50' ' ' TYR . 19.6 pt -97.33 133.67 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -97.65 111.35 23.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.767 1.227 . . . . 0.0 109.356 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -95.15 131.08 41.56 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.83 149.43 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 tm? -59.7 -29.51 68.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.405 0.682 . . . . 0.0 110.571 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.02 -44.77 97.78 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 48.6 mt-10 -68.56 -30.62 69.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.617 0.767 . . . . 0.0 110.601 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.718 HD13 HG12 ' A' ' 43' ' ' ILE . 2.6 mm? -60.63 -44.36 96.45 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.477 1.111 . . . . 0.0 111.067 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.14 -13.98 62.13 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.949 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -99.46 -6.36 27.75 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.95 0.9 . . . . 0.0 111.729 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 96.0 mt -84.77 103.43 13.84 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.41 -36.55 14.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.108 0.563 . . . . 0.0 110.07 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.443 HD21 ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -150.06 -179.09 6.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.931 -176.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 22' ' ' LEU . 60.5 t -70.24 -14.74 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.364 1.065 . . . . 0.0 110.645 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.18 96.55 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 168.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' H ' HD21 ' A' ' 64' ' ' ASN . 23.7 m-20 -68.38 -42.11 79.6 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.056 0.542 . . . . 0.0 109.817 174.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.61 -37.64 79.14 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.79 98.68 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.66 0.384 . . . . 0.0 110.581 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -64.69 -51.13 64.09 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.749 0.82 . . . . 0.0 110.565 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.7 -54.29 20.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.558 0.743 . . . . 0.0 110.932 -172.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 7' ' ' LEU . 95.6 t -52.99 -42.69 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.86 0.864 . . . . 0.0 110.856 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.04 -42.38 97.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.234 0.613 . . . . 0.0 111.197 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 31.6 mmtp -63.26 -41.68 99.06 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.578 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 62.9 mttm -75.33 -36.88 60.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.519 0.728 . . . . 0.0 110.606 -175.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.18 -34.03 76.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.866 0.467 . . . . 0.0 110.405 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.71 79.27 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.516 0.726 . . . . 0.0 110.977 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.5 mmm180 -73.93 -33.92 64.13 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.078 0.551 . . . . 0.0 110.167 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.2 mmtt -65.64 -7.35 14.7 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.07 84.54 0.13 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 121.604 0.716 . . . . 0.0 109.673 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.77 -147.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.798 1.239 . . . . 0.0 108.168 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -86.15 -169.59 2.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.419 . . . . 0.0 109.953 169.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 m80 70.03 -77.19 0.06 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 125.027 1.331 . . . . 0.0 110.413 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.7 m80 68.92 157.71 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.306 1.442 . . . . 0.0 112.863 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -153.68 105.76 2.83 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 173.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 63.68 168.73 0.15 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.844 1.258 . . . . 0.0 110.776 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 CA--C 1.554 1.096 0 CA-C-O 118.758 -0.639 . . . . 0.0 109.453 174.395 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.428 ' S44' ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -99.19 40.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.74 2.96 . . . . 0.0 112.504 -175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -63.71 -73.95 0.11 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.827 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.541 HD21 HD11 ' A' ' 7' ' ' LEU . 70.9 mt -59.36 -32.64 70.3 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.723 0.692 . . . . 0.0 111.375 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.39 -46.34 69.63 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.035 0.934 . . . . 0.0 111.592 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.42 -12.53 27.63 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.753 0.821 . . . . 0.0 112.113 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 4' ' ' LEU . 55.7 mt -80.76 -40.94 24.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.984 0.514 . . . . 0.0 110.043 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -52.23 -49.17 86.32 Favored Pre-proline 0 CA--C 1.571 1.779 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.209 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.94 -31.84 94.26 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.022 1.815 . . . . 0.0 113.146 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -70.54 -47.2 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 123.162 0.585 . . . . 0.0 110.668 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.15 -44.7 75.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.648 0.779 . . . . 0.0 109.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' ASP . 98.0 mtt180 -69.54 -16.86 63.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.005 0.522 . . . . 0.0 111.878 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -77.27 -56.38 4.61 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.97 0.508 . . . . 0.0 110.15 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG12 HD21 ' A' ' 42' ' ' LEU . 55.1 t -57.69 -51.2 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.085 1.354 . . . . 0.0 111.959 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -88.56 -24.13 22.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.606 0.763 . . . . 0.0 111.473 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 12' ' ' ARG . 36.7 t70 59.34 58.82 2.87 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.105 0.962 . . . . 0.0 110.714 -178.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -156.19 119.75 4.34 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.135 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.33 -23.68 54.27 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.321 1.048 . . . . 0.0 111.586 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -62.83 -23.43 67.27 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.855 0.462 . . . . 0.0 111.196 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.79 105.39 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.074 0.95 . . . . 0.0 110.106 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.13 120.7 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.3 137.23 33.1 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.025 0.44 . . . . 0.0 111.157 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -135.7 176.81 8.34 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 166.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.34 -8.34 56.4 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.1 -9.0 16.29 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.149 0.58 . . . . 0.0 111.671 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -65.56 100.47 0.51 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -88.85 169.95 11.15 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.6 ' HB3' H421 ' A' ' 88' ' ' PNS . . . -60.1 -31.87 70.44 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.59 -22.96 62.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.119 0.968 . . . . 0.0 109.989 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.28 -15.35 58.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.595 0.758 . . . . 0.0 111.331 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.77 96.2 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.081 0.952 . . . . 0.0 109.183 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -75.83 92.04 3.03 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 164.74 -37.55 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.682 1.593 . . . . 0.0 108.228 -164.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.41 124.25 27.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.216 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -129.48 -179.94 5.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.944 1.297 . . . . 0.0 108.837 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -27.24 68.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.237 0.615 . . . . 0.0 109.904 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.85 -43.69 78.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.992 0.917 . . . . 0.0 109.95 173.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -61.21 -36.62 80.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.058 0.543 . . . . 0.0 110.722 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' O ' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.68 -45.98 77.68 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.06 0.85 . . . . 0.0 110.985 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.3 -41.75 94.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.03 0.532 . . . . 0.0 111.133 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.94 -43.85 94.6 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 124.266 0.979 . . . . 0.0 110.676 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 2.0 mm? -56.71 -62.13 1.94 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.264 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.98 -50.41 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.227 0.954 . . . . 0.0 110.838 -172.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.52 -34.82 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-N 118.513 0.597 . . . . 0.0 112.223 -176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -69.56 -41.54 75.73 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.036 0.446 . . . . 0.0 110.401 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.0 mt -69.29 -31.06 69.3 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.408 0.683 . . . . 0.0 111.422 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 40.6 mm-40 -60.85 -59.41 5.43 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.287 1.035 . . . . 0.0 109.504 175.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.43 -36.88 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.864 -170.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -68.33 -54.42 17.55 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.828 0.451 . . . . 0.0 112.154 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.93 -16.01 39.81 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.54 44.25 18.09 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.748 1.219 . . . . 0.0 111.146 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.07 165.91 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.176 0.59 . . . . 0.0 110.177 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.71 104.45 13.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.146 0.979 . . . . 0.0 110.589 -171.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' HB3' HD22 ' A' ' 59' ' ' LEU . 98.5 m-85 -87.87 112.31 22.36 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.089 0.955 . . . . 0.0 109.009 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.44 130.28 34.62 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -61.2 -25.57 67.13 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.685 0.794 . . . . 0.0 110.695 -174.111 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -40.07 96.89 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.396 0.435 . . . . 0.0 112.443 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 45.0 mt-10 -67.34 -40.92 85.92 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.551 0.741 . . . . 0.0 110.114 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.672 HD12 HD13 ' A' ' 62' ' ' LEU . 4.6 mm? -57.72 -36.44 72.03 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.073 0.949 . . . . 0.0 111.593 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -59.77 -21.47 60.82 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.471 0.709 . . . . 0.0 112.699 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 10.8 mmpt? -107.97 0.66 22.03 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.039 0.936 . . . . 0.0 112.062 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.672 HD13 HD12 ' A' ' 59' ' ' LEU . 54.4 mt -94.64 90.86 6.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.607 ' HA ' H382 ' A' ' 88' ' ' PNS . 0.9 OUTLIER -80.76 -29.31 36.23 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.256 1.023 . . . . 0.0 110.597 -171.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 HD21 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -140.64 171.6 13.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.586 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.01 -24.29 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.559 1.144 . . . . 0.0 111.153 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.98 -37.66 74.03 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 113.143 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.482 ' H ' HD21 ' A' ' 64' ' ' ASN . 69.9 m-20 -67.73 -42.27 82.15 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 62' ' ' LEU . 58.0 tp -63.05 -40.54 98.02 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.268 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.91 77.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 0.0 110.664 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.53 -36.65 78.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.083 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 2.5 tm? -70.51 -35.16 73.05 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.031 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 68' ' ' LEU . 92.5 t -62.98 -43.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.774 0.43 . . . . 0.0 110.222 171.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -59.18 -41.13 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.475 0.71 . . . . 0.0 110.483 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -61.92 -43.77 98.16 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.417 1.073 . . . . 0.0 110.839 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.0 mmtt -65.85 -43.8 87.36 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.48 -20.99 62.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.215 0.606 . . . . 0.0 111.262 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.48 27.4 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.534 0.734 . . . . 0.0 110.167 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -73.0 -31.45 64.5 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.545 0.738 . . . . 0.0 110.34 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.58 -72.11 0.47 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.4 mt 57.9 13.65 2.22 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.873 1.269 . . . . 0.0 111.379 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.02 -173.37 4.69 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 109.941 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 62.7 79.47 0.26 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.059 0.944 . . . . 0.0 109.238 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -77.31 80.54 3.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -153.39 87.07 1.23 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -99.47 141.67 31.96 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -62.64 -24.81 67.8 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.93 0.492 . . . . 0.0 111.778 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 124.304 1.042 . . . . 0.0 109.302 174.198 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.607 H382 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.12 -7.83 9.06 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.67 2.247 . . . . 0.0 113.35 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.43 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 18.3 p -62.52 -49.76 74.05 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.777 -176.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.6 -43.85 65.62 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.679 0.792 . . . . 0.0 112.189 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.63 -43.84 85.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.316 1.047 . . . . 0.0 111.301 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.19 63.28 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD22 ' HH ' ' A' ' 50' ' ' TYR . 95.7 mt -75.29 -29.15 60.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.013 0.525 . . . . 0.0 110.179 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -54.89 -50.03 88.48 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.259 -0.877 . . . . 0.0 113.322 -174.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.38 -25.01 71.17 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 122.117 1.878 . . . . 0.0 112.765 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' O ' HG21 ' A' ' 14' ' ' VAL . 38.5 mm -69.12 -47.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.83 -46.01 80.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.538 0.735 . . . . 0.0 110.491 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.52 -34.9 73.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.78 0.832 . . . . 0.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -70.15 -53.73 15.99 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.484 0.714 . . . . 0.0 110.998 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 10' ' ' ILE . 90.9 t -55.49 -54.6 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.747 0.819 . . . . 0.0 111.338 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE2' HD23 ' A' ' 42' ' ' LEU . 83.8 m-85 -84.44 -4.22 58.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 77.51 -9.91 1.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.392 1.077 . . . . 0.0 112.057 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.46 131.31 55.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.5 0.72 . . . . 0.0 110.757 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -86.13 -0.69 56.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.068 0.947 . . . . 0.0 113.432 -174.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -74.64 -15.82 60.8 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.151 0.432 . . . . 0.0 111.338 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -64.76 115.02 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.394 0.677 . . . . 0.0 110.784 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.05 132.24 66.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 mt -97.92 140.03 32.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.81 0.814 . . . . 0.0 111.933 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.6 p -136.36 178.38 7.11 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 126.214 1.805 . . . . 0.0 106.191 170.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.04 -49.79 75.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.422 0.289 . . . . 0.0 111.232 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -88.17 4.97 43.64 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 m -52.24 127.26 21.41 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.195 0.598 . . . . 0.0 110.387 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -141.16 161.31 38.18 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.388 0.675 . . . . 0.0 110.01 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -21.94 64.03 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.43 1.092 . . . . 0.0 113.683 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -35.39 76.58 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.044 0.938 . . . . 0.0 110.385 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.9 -15.01 58.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.714 0.805 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.98 107.96 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.09 -39.97 95.21 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.546 0.739 . . . . 0.0 111.306 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.14 58.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.768 0.827 . . . . 0.0 112.74 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.66 120.38 21.76 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.378 0.671 . . . . 0.0 110.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -119.42 -172.2 2.27 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.3 1.44 . . . . 0.0 109.741 173.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.3 m -69.54 -45.41 68.86 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.037 0.935 . . . . 0.0 109.967 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.84 -32.8 74.53 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.866 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -68.59 -41.23 79.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.336 0.654 . . . . 0.0 110.27 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -62.52 -39.37 93.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.819 0.848 . . . . 0.0 110.46 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.8 mmm -73.12 -30.9 63.97 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.886 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.874 0.469 . . . . 0.0 110.136 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.8 mm? -61.99 -57.59 11.11 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.691 0.619 . . . . 0.0 110.487 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.534 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.23 -46.08 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 124.332 1.02 . . . . 0.0 111.172 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.77 -29.66 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.1 m -65.14 -40.55 94.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.673 0.389 . . . . 0.0 110.057 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 43.3 mt -71.32 -30.61 66.43 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.565 0.346 . . . . 0.0 110.777 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 7.9 mm-40 -62.33 -55.94 23.26 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.946 0.898 . . . . 0.0 110.722 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.48 -41.55 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.281 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -68.05 -53.56 24.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 0.0 112.161 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' HB3' HD23 ' A' ' 76' ' ' LEU . 90.9 m-85 -93.75 -3.0 52.97 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.862 0.465 . . . . 0.0 112.003 -175.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.96 24.66 14.67 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.01 1.324 . . . . 0.0 111.328 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.444 ' HB ' ' HD3' ' A' ' 75' ' ' LYS . 25.3 pt -97.49 -176.68 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.45 0.7 . . . . 0.0 109.852 -171.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -138.57 112.61 8.54 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.287 0.635 . . . . 0.0 110.154 -173.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.36 136.03 42.91 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -104.22 169.16 8.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.28 -35.6 75.91 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.123 0.569 . . . . 0.0 110.475 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.43 93.45 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 34.2 mt-10 -76.8 -24.34 52.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.656 0.782 . . . . 0.0 110.828 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 55' ' ' ALA . 1.2 mm? -67.32 -39.79 85.92 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.918 0.887 . . . . 0.0 109.192 172.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.2 -20.08 63.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.017 0.527 . . . . 0.0 111.393 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.01 -23.75 55.25 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.744 0.818 . . . . 0.0 111.055 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 51.6 mt -84.46 84.27 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.17 0.588 . . . . 0.0 109.65 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -88.37 -25.28 22.8 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.138 0.975 . . . . 0.0 109.342 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.719 ' HA ' H432 ' A' ' 88' ' ' PNS . 0.1 OUTLIER -153.53 176.49 11.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.435 0.694 . . . . 0.0 110.831 172.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.503 ' HA ' HD21 ' A' ' 68' ' ' LEU . 57.9 t -69.66 -15.52 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.257 1.023 . . . . 0.0 111.594 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.76 -27.52 73.61 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -78.47 -30.52 47.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.537 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 65' ' ' VAL . 3.6 mm? -66.43 -35.53 80.53 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.73 0.695 . . . . 0.0 109.514 168.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.67 98.33 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.72 0.408 . . . . 0.0 109.902 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 25.5 t70 -63.22 -62.54 1.63 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.416 1.073 . . . . 0.0 110.637 177.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.08 -54.04 49.68 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.419 0.688 . . . . 0.0 111.195 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.412 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -57.46 -38.8 65.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.612 0.57 . . . . 0.0 110.421 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.31 -46.87 86.8 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.027 0.531 . . . . 0.0 111.546 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 71.2 mmtt -65.37 -34.61 78.71 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.721 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' HD3' ' HB ' ' A' ' 52' ' ' ILE . 64.9 mttm -77.08 -38.41 52.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.765 0.826 . . . . 0.0 111.204 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 50' ' ' TYR . 84.8 mt -71.54 -23.6 61.8 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.579 0.549 . . . . 0.0 110.662 176.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -49.07 72.36 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.897 0.748 . . . . 0.0 109.568 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.7 mmt85 -66.98 -18.47 65.4 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.419 0.687 . . . . 0.0 112.284 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.92 -38.39 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.911 0.484 . . . . 0.0 110.829 174.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.28 -72.81 0.68 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.561 0.744 . . . . 0.0 109.233 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.42 94.18 6.76 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.34 0.656 . . . . 0.0 110.166 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -70.41 79.11 0.55 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.1 m80 67.69 -175.11 0.19 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.343 1.457 . . . . 0.0 111.362 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -130.65 -178.75 4.93 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.349 1.06 . . . . 0.0 109.49 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 m80 58.25 49.91 10.49 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.005 0.922 . . . . 0.0 110.62 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -69.47 92.29 0.61 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.374 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.7 m170 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 123.671 0.789 . . . . 0.0 108.967 -178.332 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.719 H432 ' HA ' ' A' ' 64' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 1.3 mpt? . . . . . 0 CA--C 1.561 1.391 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.454 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 20.6 Cg_endo -92.36 47.37 0.46 Allowed 'Trans proline' 0 C--N 1.395 3.008 0 C-N-CA 122.819 2.346 . . . . 0.0 110.855 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.525 HG23 ' HB2' ' A' ' 73' ' ' ASP . 53.0 p -63.04 -75.67 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.829 -166.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.15 -30.59 71.71 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.534 0.734 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.66 -56.38 22.62 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.312 1.045 . . . . 0.0 111.138 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.79 73.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.701 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.87 -32.38 70.71 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.638 0.375 . . . . 0.0 111.554 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -54.92 -50.28 87.14 Favored Pre-proline 0 CA--C 1.573 1.849 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.179 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.9 -41.0 78.46 Favored 'Trans proline' 0 C--N 1.393 2.91 0 C-N-CA 122.786 2.324 . . . . 0.0 113.458 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.11 -53.05 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.244 0.618 . . . . 0.0 110.73 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.0 -46.9 79.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.614 0.765 . . . . 0.0 110.609 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.88 -28.93 70.38 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.863 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.3 -58.71 3.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.805 0.442 . . . . 0.0 110.37 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 42' ' ' LEU . 48.6 t -56.28 -55.84 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 0.0 112.247 -174.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.96 -21.0 40.73 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.782 0.433 . . . . 0.0 110.651 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 t70 61.17 79.99 0.23 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.046 1.338 . . . . 0.0 110.51 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -167.58 125.84 1.25 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.861 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -73.4 -26.56 61.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.244 1.018 . . . . 0.0 111.784 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -72.62 -9.57 58.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.013 0.525 . . . . 0.0 112.175 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.1 101.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.6 t -116.91 110.75 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.477 HD22 HG11 ' A' ' 65' ' ' VAL . 90.6 mt -91.08 129.81 37.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.107 0.48 . . . . 0.0 111.9 -169.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -128.33 169.73 13.9 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp-105 -74.61 0.3 15.46 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.14 -3.97 10.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.188 0.595 . . . . 0.0 111.403 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -62.42 138.94 58.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.5 p -150.65 -175.29 5.05 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 109.677 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -12.62 59.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -76.04 -33.61 59.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.75 -24.59 35.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.59 0.756 . . . . 0.0 111.451 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.0 100.07 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.81 -40.17 87.47 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.12 0.968 . . . . 0.0 111.432 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.4 21.37 0.95 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 112.511 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -86.18 76.15 9.78 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 121.814 -0.554 . . . . 0.0 109.98 174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.169 0.988 . . . . 0.0 111.673 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -63.84 -46.6 84.29 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.3 -29.23 67.04 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -71.19 -35.14 71.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.655 0.782 . . . . 0.0 109.811 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -66.88 -41.43 87.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 110.477 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.1 mmm -62.98 -40.43 97.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.81 0.444 . . . . 0.0 110.742 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.87 -35.5 80.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.777 0.673 . . . . 0.0 110.699 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.501 ' HA ' HG22 ' A' ' 14' ' ' VAL . 2.7 tm? -63.56 -49.05 74.93 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.747 0.819 . . . . 0.0 110.207 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.27 -49.6 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.516 0.727 . . . . 0.0 110.708 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.84 -24.84 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -70.22 -37.61 75.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.991 0.517 . . . . 0.0 110.809 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -36.46 79.33 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 122.861 0.464 . . . . 0.0 110.315 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.18 -59.49 5.23 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.874 0.869 . . . . 0.0 111.505 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.01 -41.48 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -68.86 -58.08 4.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.719 0.408 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -83.24 -15.41 50.44 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 mttp 58.9 43.92 17.35 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.251 1.02 . . . . 0.0 111.53 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.2 pt -105.76 -171.7 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.744 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.14 109.01 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.84 0.745 . . . . 0.0 111.109 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' HB3' HD23 ' A' ' 59' ' ' LEU . 97.0 m-85 -88.34 127.58 35.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB2' ' HG3' ' A' ' 58' ' ' GLU . . . -92.44 138.33 31.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 164.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.08 -27.0 68.6 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.102 0.561 . . . . 0.0 109.644 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.68 93.52 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.429 -0.351 . . . . 0.0 112.587 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.7 mt-10 -68.63 -35.91 77.93 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.518 0.727 . . . . 0.0 111.166 174.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.643 HD13 HD13 ' A' ' 62' ' ' LEU . 4.3 mm? -61.49 -37.19 82.75 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.473 0.709 . . . . 0.0 111.581 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.53 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -63.15 -21.38 66.16 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.896 0.478 . . . . 0.0 111.911 175.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -92.65 -9.5 40.7 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.636 0.774 . . . . 0.0 110.723 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.643 HD13 HD13 ' A' ' 59' ' ' LEU . 73.3 mt -97.6 110.32 22.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.334 0.653 . . . . 0.0 109.284 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -29.24 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.148 0.979 . . . . 0.0 110.692 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.36 177.31 9.79 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.477 HG11 HD22 ' A' ' 22' ' ' LEU . 47.0 t -64.77 -25.04 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 124.405 1.082 . . . . 0.0 111.091 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.31 96.92 Favored Glycine 0 C--N 1.344 1.005 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.23 -42.31 93.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.93 0.492 . . . . 0.0 109.939 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.505 HD21 ' S44' ' A' ' 88' ' ' PNS . 4.5 mm? -63.31 -36.9 85.22 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.738 0.415 . . . . 0.0 111.115 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.469 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -59.1 -59.02 6.13 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 -177.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.8 m-20 -59.62 -49.6 77.14 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.215 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.513 ' HG ' HD22 ' A' ' 62' ' ' LEU . 2.2 tm? -68.27 -48.3 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.196 0.999 . . . . 0.0 112.217 -170.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 76.2 t -57.04 -39.65 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 175.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.525 ' HB2' HG23 ' A' ' 3' ' ' THR . 27.1 t70 -74.4 -24.42 59.11 Favored 'General case' 0 CA--C 1.555 1.149 0 O-C-N 123.377 0.423 . . . . 0.0 111.65 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.9 mmtp -69.21 -31.04 69.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -82.27 -22.32 35.8 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.21 175.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.0 mt -75.22 -27.89 59.73 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HA ' HD21 ' A' ' 80' ' ' LEU . . . -70.62 -29.23 65.56 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.039 170.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 31.3 mmt180 -72.91 -26.39 61.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.225 0.61 . . . . 0.0 110.9 170.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HZ3' ' HB3' ' A' ' 79' ' ' LYS . 5.1 mmmp? -70.76 -10.15 58.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 77' ' ' ALA . 4.3 mm? -63.88 137.25 57.95 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 163.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 143.85 35.35 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.855 0.722 . . . . 0.0 111.289 -168.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -58.29 -32.81 68.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.555 1.142 . . . . 0.0 111.413 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -167.02 -27.84 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.947 0.78 . . . . 0.0 112.002 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.2 t60 71.19 -73.78 0.09 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.262 1.425 . . . . 0.0 110.671 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -80.79 122.61 27.38 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -68.67 141.04 55.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.96 0.904 . . . . 0.0 111.548 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 C--O 1.256 1.41 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 170.738 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.505 ' S44' HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -85.31 28.28 0.57 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.097 2.531 . . . . 0.0 112.083 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 p -73.05 -76.54 0.12 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.082 0.953 . . . . 0.0 111.161 -166.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.03 -37.64 85.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.481 0.713 . . . . 0.0 110.416 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.05 -49.49 68.85 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.336 1.055 . . . . 0.0 111.731 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.4 -31.04 37.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.328 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD21 ' HH ' ' A' ' 50' ' ' TYR . 83.9 mt -71.51 -32.99 68.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.722 0.409 . . . . 0.0 111.491 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 87.1 m -54.71 -51.51 78.2 Favored Pre-proline 0 CA--C 1.568 1.658 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.981 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 38.4 Cg_exo -60.94 -26.76 83.71 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 122.329 2.02 . . . . 0.0 113.879 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.79 -53.55 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.22 -44.89 78.42 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.16 0.584 . . . . 0.0 110.301 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -55.01 -38.96 68.58 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.447 0.699 . . . . 0.0 111.85 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -72.32 -58.7 3.19 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 111.293 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 42' ' ' LEU . 98.3 t -61.14 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 124.159 0.983 . . . . 0.0 112.352 -172.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -80.31 -23.29 40.76 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.288 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 t70 59.66 70.58 0.63 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.303 1.002 . . . . 0.0 109.054 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.54 117.5 2.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.013 -176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.91 -20.14 59.84 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.382 1.073 . . . . 0.0 112.346 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m -75.93 -7.01 53.57 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.076 -0.39 . . . . 0.0 112.049 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.07 106.7 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.06 0.544 . . . . 0.0 110.11 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.46 103.82 14.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 174.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.96 130.84 45.69 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.467 0.707 . . . . 0.0 112.435 -171.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -119.35 170.42 9.14 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -66.34 -21.16 66.24 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.406 174.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.61 -2.74 29.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 0.0 112.441 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 65' ' ' VAL . 98.5 m -60.79 120.6 10.42 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 89.7 p -136.84 175.46 9.6 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.759 0.823 . . . . 0.0 110.409 -175.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.19 64.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.862 0.865 . . . . 0.0 112.106 172.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -73.35 -35.65 66.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.385 1.074 . . . . 0.0 111.196 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 27' ' ' SER . 38.9 t70 -74.73 -20.44 59.83 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.64 1.176 . . . . 0.0 113.322 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.9 mt -120.16 121.5 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.14 -34.95 75.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.935 0.894 . . . . 0.0 111.428 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.09 9.73 5.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -96.4 121.51 38.28 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.3 166.41 14.71 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.587 1.155 . . . . 0.0 108.643 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -63.83 -31.5 72.7 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.16 0.584 . . . . 0.0 110.066 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.55 -42.66 92.87 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.556 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -63.95 -37.8 88.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.63 0.772 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 85.4 m-70 -56.37 -44.39 80.12 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.839 0.712 . . . . 0.0 112.014 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.2 mmm -61.39 -29.99 70.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.525 0.202 . . . . 0.0 111.54 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -74.03 -33.59 63.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.275 0.63 . . . . 0.0 110.886 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 14' ' ' VAL . 3.8 mm? -60.76 -56.48 20.69 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.221 0.608 . . . . 0.0 109.874 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.02 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.708 1.255 . . . . 0.0 110.065 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.1 -32.79 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -69.37 -39.8 77.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.914 0.485 . . . . 0.0 111.102 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 83.5 mt -68.02 -36.54 80.11 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 6.9 mm-40 -70.38 -38.21 74.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.035 0.934 . . . . 0.0 112.02 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.9 -47.07 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -66.24 -44.54 83.48 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.85 0.46 . . . . 0.0 111.53 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' HH ' HD21 ' A' ' 7' ' ' LEU . 74.5 m-85 -93.19 -5.74 49.36 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.921 -0.562 . . . . 0.0 111.263 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.288 0.0 OUTLIER 43.08 41.7 2.89 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 125.371 1.469 . . . . 0.0 112.754 -174.734 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.721 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 24.1 pt -104.27 -173.97 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.074 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HZ1' ' HB3' ' A' ' 55' ' ' ALA . 14.0 tmtt? -144.14 106.46 4.39 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.549 0.339 . . . . 0.0 110.235 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -88.03 155.74 19.66 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.886 0.874 . . . . 0.0 108.712 164.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HB3' ' HZ1' ' A' ' 53' ' ' LYS . . . -111.35 148.0 33.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 165.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.33 -26.8 68.93 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.448 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -58.42 -44.03 95.49 Favored Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 170.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.15 93.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.501 0.72 . . . . 0.0 110.301 174.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 62' ' ' LEU . 4.3 mm? -57.77 -42.52 84.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.385 0.674 . . . . 0.0 111.368 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -67.42 -24.35 65.64 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.843 0.457 . . . . 0.0 111.356 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 39.0 mmtm -81.83 -12.81 58.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.211 0.605 . . . . 0.0 111.227 176.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 67' ' ' ASP . 16.1 mt -84.13 144.63 28.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -118.49 -34.49 4.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.474 0.709 . . . . 0.0 110.033 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.44 177.95 10.06 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.774 0.83 . . . . 0.0 111.18 -172.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' HA ' HD21 ' A' ' 68' ' ' LEU . 97.9 t -72.62 -10.13 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 124.22 1.008 . . . . 0.0 111.162 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.07 -33.45 87.14 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.548 ' HB3' HD21 ' A' ' 62' ' ' LEU . 17.3 m-20 -73.57 -37.68 65.43 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.452 0.701 . . . . 0.0 110.65 174.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 65' ' ' VAL . 3.8 mm? -63.64 -40.24 96.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 117.721 0.237 . . . . 0.0 110.432 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.4 88.83 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.871 0.469 . . . . 0.0 109.827 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.2 t70 -64.58 -59.07 4.72 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.484 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD13 ' HE2' ' A' ' 75' ' ' LYS . 4.1 mm? -63.41 -50.68 68.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.325 0.65 . . . . 0.0 111.606 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.497 HG23 HD23 ' A' ' 7' ' ' LEU . 93.7 t -55.82 -44.31 77.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 123.759 0.662 . . . . 0.0 110.41 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.02 -45.34 90.95 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.329 0.585 . . . . 0.0 111.776 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 74.2 mmtt -69.23 -39.43 78.54 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.017 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HE2' HD13 ' A' ' 71' ' ' LEU . 68.5 mttm -73.97 -38.35 64.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.442 0.697 . . . . 0.0 110.612 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 80.5 mt -61.17 -41.73 97.3 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.01 77.42 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.505 0.722 . . . . 0.0 111.466 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.7 mmt180 -69.96 -31.64 69.46 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.148 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.721 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 74.6 mmtt -85.01 -18.5 34.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.825 0.85 . . . . 0.0 111.694 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.17 -2.25 30.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.1 0.56 . . . . 0.0 110.703 174.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.75 157.18 24.97 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.819 0.848 . . . . 0.0 108.951 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -62.29 179.84 0.28 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.392 1.077 . . . . 0.0 112.164 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 77.42 139.12 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.573 1.549 . . . . 0.0 111.923 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 63.2 82.78 0.17 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.38 1.472 . . . . 0.0 112.195 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -94.9 143.31 26.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.478 0.711 . . . . 0.0 110.474 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -81.07 123.41 28.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.496 0.718 . . . . 0.0 109.262 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.1 p80 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 123.404 0.682 . . . . 0.0 110.514 178.568 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.1 mpp? . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.388 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -93.51 3.09 3.26 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 121.95 1.766 . . . . 0.0 114.371 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 p -70.47 -68.31 0.44 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.77 -172.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.26 -36.33 63.48 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 118.78 0.718 . . . . 0.0 111.929 -172.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.68 -50.71 65.24 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.337 1.055 . . . . 0.0 111.67 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.42 -23.84 34.66 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.873 0.869 . . . . 0.0 111.576 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD21 ' HH ' ' A' ' 50' ' ' TYR . 88.3 mt -79.29 -34.11 42.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.265 0.626 . . . . 0.0 110.896 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -55.11 -47.44 98.5 Favored Pre-proline 0 CA--C 1.572 1.799 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.514 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.26 -41.74 57.14 Favored 'Trans proline' 0 C--N 1.393 2.869 0 C-N-CA 122.8 2.333 . . . . 0.0 113.516 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG22 HD22 ' A' ' 46' ' ' LEU . 34.8 mm -65.5 -51.02 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.055 0.542 . . . . 0.0 110.038 -175.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.47 -39.13 93.65 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.789 0.681 . . . . 0.0 110.829 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' NH2' HG23 ' A' ' 21' ' ' VAL . 90.2 mtt180 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.189 0.196 . . . . 0.0 111.247 177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -74.81 -47.31 31.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.275 0.23 . . . . 0.0 111.545 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.59 -54.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.187 0.995 . . . . 0.0 111.325 177.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.91 -3.96 57.6 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.504 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.06 8.38 6.47 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.76 1.224 . . . . 0.0 111.146 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.04 165.73 12.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.582 1.153 . . . . 0.0 111.054 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -112.11 -40.93 4.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.504 1.121 . . . . 0.0 110.065 -175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 m -80.83 -5.69 57.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.949 0.9 . . . . 0.0 112.771 -166.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -66.61 108.73 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.696 0.399 . . . . 0.0 110.205 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.482 HG23 ' NH2' ' A' ' 12' ' ' ARG . 43.0 t -127.87 98.88 4.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.491 HD12 HG11 ' A' ' 65' ' ' VAL . 98.3 mt -59.18 145.14 43.7 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -165.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 p -137.17 169.38 17.87 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.615 -1.175 . . . . 0.0 107.915 168.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.91 -37.45 76.68 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.358 0.663 . . . . 0.0 112.496 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.54 0.89 53.53 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 65' ' ' VAL . 22.6 m -61.62 93.68 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.916 0.486 . . . . 0.0 111.254 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -92.44 170.45 9.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.225 0.61 . . . . 0.0 110.114 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' H ' H421 ' A' ' 88' ' ' PNS . . . -67.34 -11.86 58.73 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.713 0.405 . . . . 0.0 111.859 169.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.31 -23.4 40.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.75 0.82 . . . . 0.0 110.636 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.73 -17.89 34.62 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.633 0.773 . . . . 0.0 112.283 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.06 116.24 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.04 -30.26 62.33 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.406 0.282 . . . . 0.0 111.091 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.33 -26.25 67.96 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.63 0.772 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -75.93 114.76 14.93 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -132.92 175.51 9.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.313 1.445 . . . . 0.0 107.993 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -50.71 -38.7 48.69 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.839 0.855 . . . . 0.0 111.563 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.16 -40.6 90.65 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.142 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 m -70.92 -30.28 66.56 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.461 0.704 . . . . 0.0 111.25 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.525 ' HE1' H422 ' A' ' 88' ' ' PNS . 85.4 m-70 -60.12 -45.41 93.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.257 0.623 . . . . 0.0 110.744 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.47 -45.62 93.07 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.698 0.624 . . . . 0.0 110.568 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.45 -44.8 96.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.816 0.846 . . . . 0.0 111.293 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.94 -45.76 80.64 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.657 0.783 . . . . 0.0 110.826 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.6 mp -68.8 -45.53 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.531 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.93 -28.41 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.29 0.495 . . . . 0.0 111.461 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.4 -43.43 94.45 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.59 0.556 . . . . 0.0 110.936 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 HD22 HG22 ' A' ' 10' ' ' ILE . 59.0 mt -68.54 -33.73 74.62 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.401 -0.187 . . . . 0.0 110.707 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 56.1 mm-40 -57.59 -56.57 20.22 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.187 0.995 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.12 -40.85 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -67.22 -51.74 49.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.585 0.354 . . . . 0.0 111.699 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.516 ' HH ' HD21 ' A' ' 7' ' ' LEU . 89.4 m-85 -93.98 -2.74 52.67 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.075 0.55 . . . . 0.0 112.139 -175.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 65.44 25.26 11.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.759 1.224 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.0 pt -102.78 178.64 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.222 0.609 . . . . 0.0 110.771 -168.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -147.68 116.08 6.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -95.37 147.89 23.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.108 0.963 . . . . 0.0 109.125 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 158.19 15.56 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 167.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -32.49 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.52 89.08 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 113.168 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -71.89 -33.8 68.65 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.759 0.424 . . . . 0.0 110.764 175.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.45 -31.07 70.98 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.149 0.58 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -58.88 -34.93 72.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.41 0.684 . . . . 0.0 111.274 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -87.63 3.69 46.76 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.034 0.534 . . . . 0.0 112.085 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -99.28 98.03 9.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.81 -29.61 17.48 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.919 0.888 . . . . 0.0 109.256 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.93 178.55 10.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.272 0.629 . . . . 0.0 111.146 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG11 HD12 ' A' ' 22' ' ' LEU . 25.7 t -68.52 -16.66 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.627 0.771 . . . . 0.0 111.504 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.99 -31.31 72.35 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 27.1 m-20 -68.38 -38.43 81.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.17 -30.21 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.047 0.539 . . . . 0.0 111.24 173.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -52.24 65.14 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 6.7 m-20 -70.03 -38.47 75.88 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.87 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.03 -53.6 19.61 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 123.383 0.673 . . . . 0.0 109.924 -173.086 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 47.5 t -65.61 -28.43 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.101 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -36.2 83.36 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 122.937 0.495 . . . . 0.0 110.961 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.6 mmmt -60.18 -44.29 95.17 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 74.9 mmtt -71.74 -36.56 70.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.169 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 68.8 mt -70.14 -36.49 74.81 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.28 0.632 . . . . 0.0 110.09 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -35.39 72.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.825 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.53 -33.14 62.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.627 0.371 . . . . 0.0 110.992 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.3 mmtt -79.33 -4.77 52.43 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.636 0.774 . . . . 0.0 112.23 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -22.78 63.23 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.379 0.672 . . . . 0.0 111.238 171.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -75.95 -9.04 58.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.627 0.771 . . . . 0.0 111.823 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -109.02 -175.88 2.89 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 109.456 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -155.29 -154.82 0.52 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.408 1.083 . . . . 0.0 108.369 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.9 t60 73.3 103.1 0.07 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.629 1.171 . . . . 0.0 110.551 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -130.58 174.26 10.08 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.331 1.052 . . . . 0.0 110.442 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -153.74 -16.79 0.14 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.514 0.725 . . . . 0.0 111.126 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 123.568 0.747 . . . . 0.0 109.259 -174.721 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.547 H421 ' H ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtp . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 118.28 -0.866 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -92.12 26.22 0.43 Allowed 'Trans proline' 0 C--N 1.389 2.699 0 C-N-CA 122.299 2.0 . . . . 0.0 113.18 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.551 HG23 ' HB2' ' A' ' 73' ' ' ASP . 46.2 p -73.72 -65.02 0.88 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.826 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.07 -40.0 63.72 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 123.292 0.637 . . . . 0.0 110.766 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.37 -47.41 81.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.61 1.164 . . . . 0.0 111.706 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.73 55.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.249 0.62 . . . . 0.0 111.928 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD22 HG23 ' A' ' 72' ' ' VAL . 85.7 mt -79.58 -32.88 42.07 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 123.099 0.559 . . . . 0.0 110.593 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -56.62 -47.29 99.25 Favored Pre-proline 0 CA--C 1.57 1.733 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.985 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.03 -32.49 93.31 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.778 2.319 . . . . 0.0 113.766 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.91 -43.87 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.035 0.534 . . . . 0.0 109.93 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.36 -42.56 75.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.475 0.71 . . . . 0.0 110.373 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.78 -23.93 67.56 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.006 0.522 . . . . 0.0 111.803 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -80.25 -59.84 2.55 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.25 0.62 . . . . 0.0 110.391 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.6 -54.52 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 125.067 1.347 . . . . 0.0 112.23 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -83.37 -23.29 32.5 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.256 0.622 . . . . 0.0 110.8 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 t70 61.21 80.21 0.23 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.414 1.071 . . . . 0.0 110.394 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -163.89 115.03 1.34 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.888 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.88 -29.71 69.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.732 1.213 . . . . 0.0 112.494 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -78.31 -18.56 55.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.986 -0.531 . . . . 0.0 111.981 -168.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.51 114.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 122.868 0.467 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.82 107.58 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 65' ' ' VAL . 89.1 mt -73.59 141.29 46.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -170.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -131.81 174.69 9.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 125.403 1.481 . . . . 0.0 107.053 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -66.98 -28.25 68.11 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.879 0.472 . . . . 0.0 111.592 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -96.8 -8.78 30.24 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.993 0.517 . . . . 0.0 111.66 -174.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -58.77 139.86 55.7 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.6 p -158.47 -179.48 8.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.724 0.81 . . . . 0.0 109.373 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.625 ' H ' H421 ' A' ' 88' ' ' PNS . . . -76.9 -7.7 56.0 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.813 0.445 . . . . 0.0 111.567 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.563 HD22 H372 ' A' ' 88' ' ' PNS . 14.0 m120 -81.91 -31.09 31.56 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.87 -17.74 24.81 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.982 1.313 . . . . 0.0 111.463 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.2 mt -118.85 100.79 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.78 -31.46 72.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.878 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.46 8.43 4.26 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -111.35 131.01 55.5 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.671 0.789 . . . . 0.0 110.233 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.15 171.27 11.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.738 1.215 . . . . 0.0 109.862 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.441 ' H ' ' P24' ' A' ' 88' ' ' PNS . 25.7 p -73.7 -17.32 61.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.4 0.68 . . . . 0.0 111.71 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.34 -41.72 84.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 165.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -73.38 -25.57 60.62 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.864 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.454 ' CE1' H422 ' A' ' 88' ' ' PNS . 8.0 m-70 -57.21 -41.63 79.79 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.136 0.574 . . . . 0.0 110.805 171.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.535 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 11.6 mmt -60.82 -49.03 79.11 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.545 0.528 . . . . 0.0 110.674 178.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.85 -46.7 88.45 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.375 1.047 . . . . 0.0 110.947 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.2 -52.4 59.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.374 1.07 . . . . 0.0 110.941 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -62.08 -46.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.444 0.698 . . . . 0.0 110.794 -175.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.36 -27.6 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.097 0.408 . . . . 0.0 112.062 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -62.49 -42.23 99.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.918 0.487 . . . . 0.0 110.382 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 mt -71.06 -33.95 70.74 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.752 0.421 . . . . 0.0 111.484 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.5 mm-40 -61.02 -51.69 68.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.777 0.831 . . . . 0.0 110.529 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.76 -37.1 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -67.24 -57.19 7.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.279 0.632 . . . . 0.0 112.306 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -92.3 -2.69 56.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.472 -173.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 61.8 33.41 17.76 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.116 0.966 . . . . 0.0 110.926 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 75' ' ' LYS . 29.0 pt -107.19 176.21 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 0.0 110.386 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -140.92 105.8 4.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -82.3 133.88 35.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.07 152.35 18.84 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.8 tm? -57.86 -29.33 64.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.313 0.645 . . . . 0.0 110.587 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -38.11 95.5 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.189 0.306 . . . . 0.0 112.963 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.71 -25.79 53.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.762 0.825 . . . . 0.0 110.756 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.578 HD13 HD12 ' A' ' 62' ' ' LEU . 3.1 mm? -68.37 -37.08 80.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.023 0.929 . . . . 0.0 110.375 172.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -61.6 -18.0 57.52 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.162 0.585 . . . . 0.0 112.318 171.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -95.46 -0.03 52.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.404 0.682 . . . . 0.0 112.453 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.578 HD12 HD13 ' A' ' 59' ' ' LEU . 70.8 mt -98.11 93.45 6.28 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.295 0.498 . . . . 0.0 109.993 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -102.63 -30.89 10.66 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.687 0.795 . . . . 0.0 109.351 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -134.64 170.73 15.37 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.23 0.612 . . . . 0.0 109.479 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 22' ' ' LEU . 21.9 t -66.96 -20.58 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.808 0.843 . . . . 0.0 110.098 170.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.65 -42.33 87.92 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.93 -42.51 99.19 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.25 0.62 . . . . 0.0 110.33 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.6 tp -68.59 -29.47 68.01 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.87 75.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.363 0.665 . . . . 0.0 109.929 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 71.8 m-20 -64.45 -45.98 85.08 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.828 173.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -64.06 -49.63 71.57 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.061 0.85 . . . . 0.0 110.375 -173.602 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 71.0 t -59.62 -40.44 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.785 0.834 . . . . 0.0 110.298 175.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.551 ' HB2' HG23 ' A' ' 3' ' ' THR . 15.5 t70 -64.67 -35.37 80.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.173 0.589 . . . . 0.0 110.98 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.6 mmmt -67.15 -37.26 83.49 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.25 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' HB3' HG23 ' A' ' 52' ' ' ILE . 75.2 mmtt -70.61 -38.03 73.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.518 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 78.7 mt -74.27 -22.29 59.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.505 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.85 83.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.286 0.634 . . . . 0.0 109.701 169.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 21.2 mmt180 -68.47 -34.07 75.29 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.873 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' HB3' ' HG2' ' A' ' 81' ' ' GLU . 37.0 mmtm -73.73 -64.69 0.95 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.38 0.672 . . . . 0.0 110.176 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.7 -61.7 0.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.606 1.962 . . . . 0.0 110.317 -171.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.502 ' HG2' ' HB3' ' A' ' 79' ' ' LYS . 59.0 mm-40 75.06 -179.47 0.18 Allowed 'General case' 0 C--O 1.244 0.79 0 C-N-CA 125.379 1.472 . . . . 0.0 112.464 171.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -80.17 84.51 5.85 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.87 -170.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -78.07 -37.1 47.4 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -115.43 169.79 8.89 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.334 1.454 . . . . 0.0 108.881 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -67.89 165.05 18.44 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.066 0.546 . . . . 0.0 112.29 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.24 172.06 14.26 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.815 0.846 . . . . 0.0 111.481 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 125.954 1.702 . . . . 0.0 112.868 -176.023 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.625 H421 ' H ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -96.87 33.61 0.13 Allowed 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 123.662 2.908 . . . . 0.0 111.021 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.449 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -65.68 -61.44 2.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -56.1 -37.3 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.398 1.061 . . . . 0.0 110.683 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.72 -46.59 89.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.04 0.936 . . . . 0.0 111.595 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -31.55 67.93 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.688 0.795 . . . . 0.0 111.325 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.546 HD21 ' HH ' ' A' ' 50' ' ' TYR . 88.4 mt -77.89 -30.02 50.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -54.51 -47.59 97.35 Favored Pre-proline 0 N--CA 1.493 1.696 0 CA-C-O 118.058 -0.972 . . . . 0.0 113.463 -172.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.86 -31.62 91.83 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.162 1.908 . . . . 0.0 113.232 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.451 HG21 HD22 ' A' ' 46' ' ' LEU . 28.4 mm -67.57 -44.67 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.939 0.495 . . . . 0.0 109.816 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 7' ' ' LEU . 6.1 m-85 -69.16 -38.58 78.83 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.247 0.619 . . . . 0.0 110.67 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.9 -23.42 64.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.867 0.467 . . . . 0.0 111.828 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -77.3 -58.17 3.42 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.399 0.679 . . . . 0.0 110.442 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 42' ' ' LEU . 65.4 t -60.06 -52.41 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 111.941 -176.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -82.82 -11.15 58.48 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.42 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.47 80.63 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.179 0.991 . . . . 0.0 110.344 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -164.76 173.98 11.2 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.44 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -133.5 -27.51 1.53 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.785 0.834 . . . . 0.0 110.867 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -82.79 -16.01 49.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.664 0.786 . . . . 0.0 112.042 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -67.05 106.2 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.74 111.1 34.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 HD12 HG11 ' A' ' 65' ' ' VAL . 57.1 mt -64.31 130.38 43.59 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.199 0.312 . . . . 0.0 111.585 -169.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.4 p -125.48 167.42 15.04 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -66.48 -15.32 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.36 0.664 . . . . 0.0 112.234 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.01 -4.38 15.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.919 0.887 . . . . 0.0 112.331 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.1 m -58.67 134.03 56.43 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.581 0.352 . . . . 0.0 110.501 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 51.4 p -167.17 -170.72 1.57 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.602 0.761 . . . . 0.0 109.611 -173.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.496 ' HA ' ' HB3' ' A' ' 34' ' ' TRP . . . -77.06 4.58 9.84 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 168.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -96.13 -39.71 9.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' HB3' ' H ' ' A' ' 27' ' ' SER . 32.5 t70 -74.08 -33.8 63.78 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.183 172.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.4 mt -121.15 102.3 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.82 -25.96 68.41 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.452 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.96 -4.58 57.0 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 2.1 t90 -80.56 85.31 5.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.263 0.625 . . . . 0.0 110.211 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.31 161.15 28.98 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.804 168.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -69.38 -23.43 63.74 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.832 0.707 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -48.12 81.99 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.204 0.601 . . . . 0.0 109.538 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 m -73.86 -30.04 62.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.423 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.484 ' HE1' ' S44' ' A' ' 88' ' ' PNS . 65.4 t60 -62.62 -48.32 79.92 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 174.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mmm -67.32 -40.17 85.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.62 0.368 . . . . 0.0 110.43 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.99 -37.5 74.36 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.107 0.88 . . . . 0.0 110.766 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 3.2 tm? -66.81 -52.59 42.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.413 0.685 . . . . 0.0 110.738 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.588 HG12 HD21 ' A' ' 59' ' ' LEU . 1.7 mp -61.22 -44.71 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.29 0.636 . . . . 0.0 111.043 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.21 -28.7 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 123.048 0.218 . . . . 0.0 111.57 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -63.79 -41.0 98.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.826 0.45 . . . . 0.0 110.757 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.451 HD22 HG21 ' A' ' 10' ' ' ILE . 61.6 mt -64.61 -40.26 95.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.56 -54.05 45.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.706 0.802 . . . . 0.0 111.802 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.88 -38.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.48 -56.14 12.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.297 0.639 . . . . 0.0 111.841 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.546 ' HH ' HD21 ' A' ' 7' ' ' LEU . 97.4 m-85 -87.89 -0.58 57.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 63.02 33.78 14.48 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.505 1.122 . . . . 0.0 110.336 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 20.7 pt -110.24 -175.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.97 0.908 . . . . 0.0 109.69 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.41 122.16 5.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.236 0.214 . . . . 0.0 110.432 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.589 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 82.6 m-85 -105.23 142.45 34.98 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.156 0.982 . . . . 0.0 108.534 171.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.79 152.51 20.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.582 0.753 . . . . 0.0 109.195 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.32 -35.33 62.57 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.375 1.07 . . . . 0.0 112.545 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.39 99.47 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.321 0.388 . . . . 0.0 112.462 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.05 -30.26 70.28 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.949 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.588 HD21 HG12 ' A' ' 43' ' ' ILE . 29.9 mt -67.84 -37.93 82.53 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.966 0.506 . . . . 0.0 110.48 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -69.78 -8.53 48.93 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.256 0.622 . . . . 0.0 112.097 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -97.6 -9.88 26.14 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.388 0.675 . . . . 0.0 110.684 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD21 ' HG ' ' A' ' 71' ' ' LEU . 88.5 mt -82.28 85.94 6.76 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.537 ' HA ' H382 ' A' ' 88' ' ' PNS . 57.6 tttm -80.85 -32.49 35.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.09 0.472 . . . . 0.0 110.459 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -141.41 173.51 11.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.323 1.049 . . . . 0.0 109.509 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG11 HD12 ' A' ' 22' ' ' LEU . 31.4 t -74.16 -12.33 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.032 0.933 . . . . 0.0 110.522 174.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.07 91.25 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.9 -38.19 88.08 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.217 0.607 . . . . 0.0 110.384 172.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.74 -33.83 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.604 0.362 . . . . 0.0 111.243 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.81 68.45 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 4.3 m-20 -62.82 -51.8 65.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.639 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.589 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.4 mm? -61.04 -53.78 52.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.848 0.859 . . . . 0.0 111.332 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 96.9 t -57.22 -40.68 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.014 0.526 . . . . 0.0 110.444 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.52 -37.95 82.82 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.891 0.476 . . . . 0.0 111.763 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 73.0 mmtt -69.45 -39.07 78.0 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.378 0.424 . . . . 0.0 110.284 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.481 ' HB3' ' HB ' ' A' ' 52' ' ' ILE . 74.3 mmtt -70.72 -38.2 73.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.248 0.619 . . . . 0.0 110.631 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 57.3 mt -75.84 -26.32 57.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.415 0.686 . . . . 0.0 110.805 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.74 87.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.841 0.457 . . . . 0.0 109.855 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.5 mmm180 -69.45 -28.0 65.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.19 0.596 . . . . 0.0 110.681 173.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.5 -4.48 19.04 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.958 0.903 . . . . 0.0 113.149 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.36 60.31 0.44 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.756 0.788 . . . . 0.0 109.554 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -158.9 142.19 14.78 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 -170.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -59.33 -65.39 0.68 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.806 0.843 . . . . 0.0 111.391 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -171.97 -58.97 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.7 m80 57.12 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.546 1.138 . . . . 0.0 111.123 -161.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -78.26 78.48 4.73 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.308 0.643 . . . . 0.0 111.314 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -153.32 63.21 0.75 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.465 1.106 . . . . 0.0 108.125 168.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--O 1.247 0.929 0 C-N-CA 124.978 1.311 . . . . 0.0 108.335 175.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.537 H382 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -90.62 26.35 0.49 Allowed 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.232 1.954 . . . . 0.0 112.666 -174.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.537 ' HG1' ' HB2' ' A' ' 73' ' ' ASP . 17.0 m -74.63 -51.9 13.17 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.158 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 69' ' ' ALA . 85.0 mt -57.72 -42.2 83.3 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.688 0.395 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -55.01 -50.39 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.058 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.29 89.26 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.8 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 46' ' ' LEU . 72.6 mt -75.0 -27.07 60.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.175 0.59 . . . . 0.0 111.416 -175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 95.8 m -56.07 -50.98 84.24 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.698 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.1 Cg_exo -59.5 -28.86 88.56 Favored 'Trans proline' 0 C--N 1.394 2.923 0 C-N-CA 122.411 2.074 . . . . 0.0 113.723 172.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 HG21 HD23 ' A' ' 46' ' ' LEU . 14.3 mm -71.02 -42.66 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.56 -47.01 77.31 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.322 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.53 -20.88 65.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.36 0.664 . . . . 0.0 112.131 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.5 -59.42 2.73 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.322 0.649 . . . . 0.0 110.291 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' A' ' 42' ' ' LEU . 76.2 t -58.12 -54.31 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.597 1.159 . . . . 0.0 112.04 -173.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.98 -23.04 28.9 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.985 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.16 82.96 0.14 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.77 1.228 . . . . 0.0 110.347 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.64 166.73 26.38 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 -171.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.75 -24.49 7.17 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.734 0.813 . . . . 0.0 110.192 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 m -80.38 -8.55 59.56 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.914 0.886 . . . . 0.0 111.455 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.89 99.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.33 96.91 4.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 HD22 HG22 ' A' ' 65' ' ' VAL . 92.7 mt -66.24 136.63 56.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.944 -167.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -134.32 172.76 12.43 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -62.54 -41.77 99.1 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.86 0.5 57.47 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 91.6 m -58.08 98.91 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.416 0.686 . . . . 0.0 112.069 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -95.09 172.64 8.01 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.369 0.604 . . . . 0.0 110.883 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -22.69 62.46 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.263 166.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -78.81 -31.08 45.73 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.526 0.73 . . . . 0.0 110.197 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.37 -30.29 67.17 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.995 0.918 . . . . 0.0 111.166 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.5 107.4 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.06 -36.96 78.47 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.252 0.621 . . . . 0.0 110.694 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.53 -16.95 64.19 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.069 0.948 . . . . 0.0 112.916 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -91.39 63.52 4.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.332 0.653 . . . . 0.0 110.424 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.48 163.51 27.89 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.742 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -46.29 -40.7 12.09 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.66 1.184 . . . . 0.0 112.407 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.42 -44.8 90.06 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.789 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -69.78 -28.66 65.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.652 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.614 ' HE1' H422 ' A' ' 88' ' ' PNS . 68.9 m-70 -59.49 -46.58 88.4 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.45 0.7 . . . . 0.0 110.551 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.1 mmm -58.31 -45.73 87.47 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.622 0.576 . . . . 0.0 110.886 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -67.43 -38.85 85.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.411 0.684 . . . . 0.0 111.427 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.522 ' HA ' HG23 ' A' ' 14' ' ' VAL . 3.0 tm? -64.03 -50.75 67.24 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.682 0.793 . . . . 0.0 110.968 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.468 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.7 mp -65.23 -45.74 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.905 0.882 . . . . 0.0 110.633 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.36 -25.86 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 118.009 0.368 . . . . 0.0 111.83 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -68.73 -38.86 80.49 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.807 0.443 . . . . 0.0 110.971 171.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD21 HD22 ' A' ' 7' ' ' LEU . 81.7 mt -63.16 -37.09 85.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 44.1 mt-10 -67.8 -49.32 62.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.495 0.718 . . . . 0.0 111.678 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -38.03 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -64.94 -58.35 6.36 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.657 0.383 . . . . 0.0 111.631 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' HH ' HD21 ' A' ' 7' ' ' LEU . 89.7 m-85 -90.04 -4.33 57.45 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.033 0.533 . . . . 0.0 112.397 -171.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.63 47.46 22.55 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.396 1.078 . . . . 0.0 110.547 -175.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.48 156.8 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.948 0.899 . . . . 0.0 109.765 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -111.8 116.2 30.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.051 0.94 . . . . 0.0 108.534 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -95.61 126.48 40.92 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.87 148.76 21.83 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.96 -35.6 69.32 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.099 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.442 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -57.54 -49.93 69.35 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.829 0.705 . . . . 0.0 112.483 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.26 -35.72 76.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.919 0.888 . . . . 0.0 111.46 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.75 -36.89 81.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.487 0.715 . . . . 0.0 111.621 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -73.96 -21.12 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.734 0.414 . . . . 0.0 111.367 174.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 28.8 mmmt -80.87 -11.14 59.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.515 0.326 . . . . 0.0 111.303 174.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.52 ' O ' H382 ' A' ' 88' ' ' PNS . 76.5 mt -79.11 139.29 38.1 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -120.38 -36.77 3.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.839 0.856 . . . . 0.0 109.301 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -177.11 6.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.894 0.877 . . . . 0.0 110.827 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' THR . 20.7 t -71.49 -15.59 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.216 0.606 . . . . 0.0 111.243 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.78 -32.19 73.82 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 171.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -68.36 -41.08 81.15 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.83 -28.69 69.73 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.135 0.574 . . . . 0.0 111.42 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.423 ' HB3' HD22 ' A' ' 4' ' ' LEU . . . -65.49 -52.04 55.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.59 0.709 . . . . 0.0 109.455 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 22.9 t70 -64.93 -46.75 80.33 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.967 -1.469 . . . . 0.0 110.223 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.23 -53.07 18.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.955 1.302 . . . . 0.0 111.614 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.422 HG12 HD23 ' A' ' 7' ' ' LEU . 49.4 t -66.35 -27.17 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 117.913 0.324 . . . . 0.0 110.61 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.537 ' HB2' ' HG1' ' A' ' 3' ' ' THR . 22.6 t70 -71.66 -30.28 65.55 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 170.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 72.8 mmtt -67.49 -35.0 78.3 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.1 mmtt -63.81 -46.9 83.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.206 0.602 . . . . 0.0 109.776 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.15 -26.7 66.79 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.7 0.8 . . . . 0.0 110.901 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 -19.78 58.26 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.234 1.014 . . . . 0.0 110.822 175.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 25.7 mmm180 -85.7 -28.7 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.179 0.592 . . . . 0.0 110.808 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.8 mmtt -70.36 -75.97 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 50.88 -73.3 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 125.017 1.327 . . . . 0.0 113.787 -171.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.93 -45.71 86.14 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.216 1.006 . . . . 0.0 112.782 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -68.56 91.92 0.44 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -81.14 130.48 35.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.329 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -76.05 -22.65 55.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.597 0.759 . . . . 0.0 110.83 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -131.45 137.79 48.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.049 0.939 . . . . 0.0 108.923 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -71.86 106.35 4.16 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 CA--C 1.559 1.305 0 C-N-CA 124.611 1.164 . . . . 0.0 110.039 -175.301 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.614 H422 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.556 1.193 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -82.63 27.56 0.6 Allowed 'Trans proline' 0 C--N 1.395 2.978 0 C-N-CA 122.308 2.005 . . . . 0.0 113.895 -168.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -58.69 3.12 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.98 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD22 HD13 ' A' ' 7' ' ' LEU . 87.8 mt -53.06 -36.42 60.6 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.901 0.88 . . . . 0.0 112.534 -173.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.13 -54.28 38.05 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.639 1.176 . . . . 0.0 110.823 172.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.46 -26.42 60.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.405 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 HD22 ' HH ' ' A' ' 50' ' ' TYR . 67.7 mt -76.96 -29.84 55.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.505 0.722 . . . . 0.0 110.972 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.428 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 92.2 m -53.21 -51.62 73.59 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.596 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.4 Cg_exo -59.05 -33.01 98.47 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 122.302 2.001 . . . . 0.0 113.225 173.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.9 -55.21 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.949 0.5 . . . . 0.0 110.375 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -42.95 88.91 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.697 0.799 . . . . 0.0 110.595 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -64.42 -25.26 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.733 0.413 . . . . 0.0 111.885 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -79.46 -52.07 8.52 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.307 0.503 . . . . 0.0 110.515 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 42' ' ' LEU . 77.2 t -56.77 -51.44 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.811 1.245 . . . . 0.0 112.158 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.76 -17.89 39.66 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.887 0.475 . . . . 0.0 111.361 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t70 62.21 77.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.897 1.279 . . . . 0.0 110.458 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -161.07 176.83 10.92 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.117 -172.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -136.05 -22.21 1.39 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.541 0.736 . . . . 0.0 111.051 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 m -89.55 -3.14 58.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.693 0.797 . . . . 0.0 111.317 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.88 104.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.5 101.19 12.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD22 HG11 ' A' ' 65' ' ' VAL . 93.4 mt -74.97 140.53 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.057 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -136.3 173.0 12.19 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -78.74 7.86 6.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.199 0.6 . . . . 0.0 111.575 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -126.98 -7.23 6.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.861 0.864 . . . . 0.0 111.807 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 64' ' ' ASN . 96.8 m -58.88 127.45 32.29 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.102 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.9 p -136.64 -172.53 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.853 0.861 . . . . 0.0 110.524 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.619 ' HB3' H421 ' A' ' 88' ' ' PNS . . . -56.86 -18.09 11.8 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 168.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.81 -42.27 86.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.004 0.521 . . . . 0.0 110.384 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.18 -28.6 31.98 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.745 0.818 . . . . 0.0 110.395 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -117.29 88.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.61 -28.4 67.15 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.672 0.789 . . . . 0.0 111.878 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.17 60.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.586 1.154 . . . . 0.0 112.841 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -74.39 118.54 17.46 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.3 0.572 . . . . 0.0 110.003 -176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -120.56 -179.25 3.92 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.949 1.7 . . . . 0.0 107.961 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.0 m -74.56 -18.87 60.52 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.95 -0.469 . . . . 0.0 111.605 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.29 -36.77 61.12 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 169.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.33 -35.28 79.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.724 0.409 . . . . 0.0 110.632 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.89 -52.45 49.7 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.58 0.752 . . . . 0.0 110.239 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.4 mmm -65.57 -44.56 86.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 -174.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -60.1 -49.34 78.05 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.788 0.68 . . . . 0.0 110.618 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.1 tm? -64.62 -45.22 87.81 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.429 1.091 . . . . 0.0 110.992 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.5 mp -69.6 -44.53 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.691 0.797 . . . . 0.0 111.249 -174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.65 -28.4 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.969 0.35 . . . . 0.0 110.949 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.1 m -63.74 -41.26 98.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.285 0.634 . . . . 0.0 110.605 171.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' HB3' HD13 ' A' ' 52' ' ' ILE . 88.3 mt -66.35 -39.2 89.03 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 51.4 mt-10 -67.83 -45.99 73.09 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.253 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -74.81 -39.3 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -70.74 -55.64 8.17 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.011 0.524 . . . . 0.0 111.577 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.46 ' HH ' HD22 ' A' ' 7' ' ' LEU . 84.0 m-85 -88.68 -6.78 57.24 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.348 0.659 . . . . 0.0 112.269 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.31 22.33 9.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.076 0.95 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.41 HD13 ' HB3' ' A' ' 46' ' ' LEU . 21.4 pt -98.18 -174.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.777 0.831 . . . . 0.0 109.11 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -149.05 125.66 11.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.875 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -109.25 136.36 48.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' HD21 ' A' ' 59' ' ' LEU . . . -98.05 164.1 12.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.26 -28.03 66.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.026 0.531 . . . . 0.0 109.901 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -39.9 98.06 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.324 0.39 . . . . 0.0 112.893 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.9 mm-40 -66.66 -39.19 88.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.125 0.57 . . . . 0.0 110.0 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 62' ' ' LEU . 3.9 mm? -60.43 -36.68 78.77 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.447 1.099 . . . . 0.0 111.672 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.3 -35.43 79.03 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.223 0.609 . . . . 0.0 111.502 171.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -77.41 -14.46 59.7 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.096 0.558 . . . . 0.0 111.485 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 81.1 mt -87.23 95.58 10.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.307 0.643 . . . . 0.0 109.712 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.654 ' HZ3' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -100.69 -15.09 17.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.067 175.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.497 ' ND2' ' H ' ' A' ' 66' ' ' GLY . 6.7 p-10 -164.84 174.56 10.49 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.968 0.413 . . . . 0.0 111.228 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.525 HG11 HD22 ' A' ' 22' ' ' LEU . 59.2 t -62.99 -21.73 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 124.999 1.319 . . . . 0.0 111.876 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.497 ' H ' ' ND2' ' A' ' 64' ' ' ASN . . . -68.4 -32.76 75.98 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.068 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.68 -41.07 84.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.216 -0.421 . . . . 0.0 109.99 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.0 -38.62 86.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 117.855 0.298 . . . . 0.0 110.498 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.932 0.493 . . . . 0.0 110.13 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.35 -58.09 7.47 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.287 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.91 -48.6 78.26 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.617 0.573 . . . . 0.0 111.724 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.82 -41.44 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 122.977 0.511 . . . . 0.0 110.511 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.25 -39.98 93.39 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -67.97 -37.98 82.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.045 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -77.53 -27.79 51.78 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' ' 50' ' ' TYR . 58.2 mt -76.7 -23.73 53.14 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.737 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.961 0.504 . . . . 0.0 110.246 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -73.62 -33.76 64.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.425 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 76' ' ' LEU . 5.5 mmtm -83.65 -9.19 59.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.738 0.815 . . . . 0.0 112.086 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.98 122.65 16.0 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.93 137.17 27.24 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 124.769 1.293 . . . . 0.0 111.357 -165.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -55.66 -35.61 66.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.018 1.327 . . . . 0.0 112.93 -170.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -75.57 119.09 19.14 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -72.34 -18.79 61.73 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.881 0.472 . . . . 0.0 111.106 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -70.46 78.22 0.56 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.994 0.917 . . . . 0.0 110.731 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -156.93 166.44 33.35 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.8 1.64 . . . . 0.0 108.642 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 . . . . . 0 C--O 1.252 1.185 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.619 H421 ' HB3' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 61.8 mtt . . . . . 0 CA--C 1.562 1.415 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.5 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 20.6 Cg_endo -98.2 38.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.396 3.067 0 C-N-CA 122.856 2.371 . . . . 0.0 111.859 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.596 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 3.1 p -54.55 -75.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.062 0.945 . . . . 0.0 113.492 -166.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -77.17 -34.93 56.26 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.859 0.754 . . . . 0.0 110.45 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.3 -54.96 24.81 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 125.224 1.409 . . . . 0.0 112.272 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.17 -24.09 57.82 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.72 -175.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD22 ' HH ' ' A' ' 50' ' ' TYR . 28.4 mt -77.87 -27.8 49.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.192 -0.432 . . . . 0.0 112.109 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -58.07 -47.29 99.12 Favored Pre-proline 0 CA--C 1.574 1.894 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.818 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.45 -29.48 62.24 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 122.132 1.888 . . . . 0.0 113.117 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.24 -55.98 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.1 -43.73 86.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.044 0.938 . . . . 0.0 110.318 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -57.88 -35.85 71.57 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.472 0.309 . . . . 0.0 111.194 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -71.23 -51.84 22.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.671 0.388 . . . . 0.0 111.24 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -54.0 -53.33 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.603 1.161 . . . . 0.0 112.258 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -83.06 -11.93 57.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.989 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.0 t70 63.11 71.13 0.52 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.691 1.196 . . . . 0.0 109.481 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -157.43 173.04 17.51 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.487 -166.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -141.5 -25.52 0.7 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.028 0.931 . . . . 0.0 110.642 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.6 m -70.28 -20.81 63.02 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.825 0.85 . . . . 0.0 111.495 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.23 114.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.856 0.862 . . . . 0.0 111.475 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -120.72 110.7 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.52 HD21 HG21 ' A' ' 65' ' ' VAL . 90.0 mt -78.43 140.36 38.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.051 0.453 . . . . 0.0 111.948 -170.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -129.19 167.76 17.15 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -66.58 -18.54 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.972 0.509 . . . . 0.0 112.13 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -114.36 8.62 16.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -63.46 134.12 55.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.91 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 p -155.08 174.88 14.56 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.294 0.497 . . . . 0.0 111.881 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.65 91.91 5.96 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 172.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 156.2 -60.72 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 -150.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.89 -19.45 54.72 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.934 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.67 137.48 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.003 0.921 . . . . 0.0 109.661 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.02 -41.54 14.75 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.899 0.879 . . . . 0.0 110.741 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.67 60.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.115 0.966 . . . . 0.0 112.962 -173.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -91.82 75.2 5.69 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.071 0.948 . . . . 0.0 109.604 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -77.73 173.29 12.23 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.049 0.539 . . . . 0.0 110.561 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.453 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -64.11 -36.22 83.32 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.199 0.6 . . . . 0.0 111.816 -172.159 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.65 -27.57 65.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.857 0.463 . . . . 0.0 111.015 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -71.42 -31.64 67.46 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.067 0.547 . . . . 0.0 111.209 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.634 ' HE1' H422 ' A' ' 88' ' ' PNS . 79.7 m-70 -64.62 -41.3 96.28 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 122.597 0.359 . . . . 0.0 110.606 170.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -58.74 -47.7 83.73 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.4 0.438 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.75 -37.73 88.6 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.842 0.714 . . . . 0.0 110.97 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.92 -54.56 40.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.828 0.851 . . . . 0.0 111.346 -177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 HD12 ' A' ' 59' ' ' LEU . 1.7 mp -65.46 -44.89 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.577 0.751 . . . . 0.0 110.561 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 m -67.19 -29.46 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.302 0.501 . . . . 0.0 111.846 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -62.8 -42.71 99.83 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.918 0.487 . . . . 0.0 110.403 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.03 -43.67 94.88 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.749 0.419 . . . . 0.0 110.58 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.5 -44.1 97.21 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.399 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.18 -42.51 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.11 -54.32 39.76 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.294 0.638 . . . . 0.0 111.927 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' HH ' HD22 ' A' ' 7' ' ' LEU . 82.1 m-85 -88.56 -4.1 58.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.113 0.565 . . . . 0.0 112.012 -176.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 59.63 41.2 19.11 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.9 0.88 . . . . 0.0 110.837 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.7 pt -113.3 -174.03 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.1 0.96 . . . . 0.0 110.305 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -160.84 132.9 5.92 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -107.84 150.79 26.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.617 0.767 . . . . 0.0 109.725 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB2' ' HG3' ' A' ' 58' ' ' GLU . . . -89.26 147.21 24.25 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -28.12 69.64 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.093 0.557 . . . . 0.0 109.709 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -40.25 95.69 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 68.2 mt-10 -70.24 -33.1 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.368 0.667 . . . . 0.0 110.723 176.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 62' ' ' LEU . 4.0 mm? -57.76 -38.88 76.17 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.009 0.924 . . . . 0.0 111.305 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.535 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -67.17 -20.98 65.81 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.133 0.573 . . . . 0.0 112.128 176.278 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -96.01 -13.48 23.74 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.081 0.952 . . . . 0.0 111.674 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 95.2 mt -81.06 88.23 5.98 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.42 ' HD2' HD22 ' A' ' 64' ' ' ASN . 8.2 tmtm? -88.71 -29.04 20.15 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.155 0.582 . . . . 0.0 109.607 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.42 HD22 ' HD2' ' A' ' 63' ' ' LYS . 30.0 m-80 -139.45 173.95 11.01 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.49 0.662 . . . . 0.0 111.832 -176.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 22' ' ' LEU . 58.8 t -60.68 -31.9 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.899 1.28 . . . . 0.0 110.745 168.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.73 90.06 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.56 0.538 . . . . 0.0 112.085 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.3 -43.6 81.32 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 110.255 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.276 0.36 . . . . 0.0 110.31 171.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.596 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.02 -38.56 86.52 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.944 0.898 . . . . 0.0 110.559 -176.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.7 t70 -66.02 -51.93 53.87 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.45 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 3.9 mm? -67.95 -49.54 61.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.147 0.579 . . . . 0.0 111.879 -174.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.03 -45.18 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.731 1.213 . . . . 0.0 110.835 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.556 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.1 t70 -70.5 -30.22 66.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.154 0.582 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 43.8 mmtm -65.04 -37.57 88.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 70.8 mmtt -72.23 -39.65 68.34 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.267 0.627 . . . . 0.0 109.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 73' ' ' ASP . 70.5 mt -61.32 -36.4 80.02 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.084 0.954 . . . . 0.0 110.661 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.535 ' HA ' HD21 ' A' ' 80' ' ' LEU . . . -67.87 -32.11 72.39 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.393 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.6 mmt180 -72.11 -25.83 61.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.925 0.49 . . . . 0.0 110.472 173.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -79.24 -7.55 58.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.521 0.728 . . . . 0.0 112.429 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 77' ' ' ALA . 2.1 mm? -58.37 93.83 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.954 0.784 . . . . 0.0 110.142 178.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.53 140.26 38.56 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.211 -171.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -59.13 -49.03 79.43 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.75 0.82 . . . . 0.0 112.013 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -178.45 137.16 0.16 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.547 1.139 . . . . 0.0 108.964 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -86.04 -170.1 2.94 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.881 0.872 . . . . 0.0 109.519 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.35 -56.99 2.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.546 0.739 . . . . 0.0 110.209 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 123.259 0.624 . . . . 0.0 109.353 -175.7 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.634 H422 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -84.41 40.37 0.86 Allowed 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.804 2.336 . . . . 0.0 112.245 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.557 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 21.9 p -62.98 -72.31 0.14 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.888 0.875 . . . . 0.0 111.281 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.13 -29.26 43.07 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.94 0.496 . . . . 0.0 110.826 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -57.03 -51.53 68.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.197 0.999 . . . . 0.0 111.616 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.2 75.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.355 0.662 . . . . 0.0 111.645 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.607 HD22 HG23 ' A' ' 72' ' ' VAL . 69.2 mt -73.7 -34.09 64.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.19 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 45.9 m -49.75 -52.9 47.22 Favored Pre-proline 0 CA--C 1.571 1.773 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -174.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 31.8 Cg_exo -62.88 -31.31 77.7 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 122.37 2.047 . . . . 0.0 112.923 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mm -69.17 -44.82 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.402 0.681 . . . . 0.0 110.236 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.05 -49.72 59.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.393 0.677 . . . . 0.0 110.505 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.08 -21.63 66.6 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.402 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -80.64 -56.89 3.85 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.022 0.529 . . . . 0.0 110.796 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.54 -52.32 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.244 1.018 . . . . 0.0 111.566 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -82.37 -12.21 58.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.206 0.602 . . . . 0.0 111.252 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 64.08 32.42 12.8 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.215 1.007 . . . . 0.0 110.466 172.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.04 118.38 14.64 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.037 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.89 -16.28 55.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.768 0.827 . . . . 0.0 111.581 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 m -66.39 -17.52 64.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.03 0.532 . . . . 0.0 111.251 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.15 112.88 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.298 1.039 . . . . 0.0 110.896 173.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.48 112.11 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.578 HD22 HG12 ' A' ' 65' ' ' VAL . 90.1 mt -80.27 140.69 36.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.499 0.72 . . . . 0.0 112.138 -168.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -129.51 177.43 7.21 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.646 1.178 . . . . 0.0 108.167 170.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -68.82 -12.69 61.79 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.296 0.638 . . . . 0.0 111.912 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -119.63 -3.15 10.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.001 0.921 . . . . 0.0 112.488 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -64.87 142.62 58.37 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 169.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -161.05 -170.22 2.62 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.613 0.642 . . . . 0.0 111.28 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.05 -27.61 54.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.437 1.095 . . . . 0.0 112.948 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.7 -36.85 83.48 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.421 1.089 . . . . 0.0 111.961 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -85.16 -15.5 43.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.56 0.744 . . . . 0.0 112.986 -170.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -120.08 110.63 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.536 0.734 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.52 -4.06 37.67 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.416 ' HZ2' ' H44' ' A' ' 88' ' ' PNS . 3.5 t90 -79.1 80.8 5.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.521 0.728 . . . . 0.0 110.478 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.15 173.68 9.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.935 0.494 . . . . 0.0 111.219 164.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.475 ' HA ' H281 ' A' ' 88' ' ' PNS . 0.7 OUTLIER -59.11 -37.74 77.91 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.335 170.499 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.15 -45.59 91.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.601 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -68.38 -35.06 77.14 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.237 1.015 . . . . 0.0 110.881 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -60.25 -44.29 95.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.517 1.127 . . . . 0.0 110.133 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.7 mmm -68.6 -38.08 80.34 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.993 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -58.86 -42.1 88.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 123.345 0.403 . . . . 0.0 110.461 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -51.35 66.24 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 110.71 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.93 -45.76 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.857 -176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.4 -27.94 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 118.112 0.415 . . . . 0.0 111.889 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.18 -44.28 92.5 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.888 0.475 . . . . 0.0 110.726 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.15 -35.14 80.15 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.666 0.386 . . . . 0.0 111.652 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.3 mm-40 -58.76 -58.41 8.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.057 0.943 . . . . 0.0 110.852 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.55 -38.47 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.088 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -62.47 -61.52 2.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.433 0.693 . . . . 0.0 111.956 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -93.3 -0.18 56.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.581 0.752 . . . . 0.0 112.132 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.29 34.31 18.63 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.282 1.033 . . . . 0.0 110.839 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.4 pt -106.32 177.53 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.585 0.754 . . . . 0.0 110.189 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -141.98 107.33 5.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -83.45 132.71 34.95 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB1' ' HG3' ' A' ' 58' ' ' GLU . . . -89.64 143.28 26.94 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.28 -35.97 70.45 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.505 0.722 . . . . 0.0 110.663 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.93 -39.92 97.65 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.605 0.565 . . . . 0.0 112.446 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 50.4 mt-10 -64.39 -38.66 91.82 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.34 0.656 . . . . 0.0 110.264 175.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.04 -33.38 75.66 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.147 0.579 . . . . 0.0 111.394 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -69.14 -24.09 64.04 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.114 0.566 . . . . 0.0 111.573 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -85.95 -1.86 57.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 40.4 mt -103.81 115.74 31.03 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HA ' H382 ' A' ' 88' ' ' PNS . 1.2 tmtp? -101.53 -29.99 11.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.048 0.539 . . . . 0.0 109.652 177.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -130.91 168.88 16.58 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.616 0.722 . . . . 0.0 110.765 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.578 HG12 HD22 ' A' ' 22' ' ' LEU . 59.3 t -60.53 -29.65 45.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.27 170.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.59 -37.97 89.95 Favored Glycine 0 C--N 1.347 1.175 0 O-C-N 123.487 0.492 . . . . 0.0 112.536 176.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.91 -47.79 73.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.136 0.574 . . . . 0.0 109.701 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' O ' HG21 ' A' ' 72' ' ' VAL . 59.4 tp -60.63 -35.53 76.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.857 0.863 . . . . 0.0 111.232 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -69.68 -44.1 71.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.716 1.206 . . . . 0.0 110.593 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.8 t70 -58.67 -41.65 86.65 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.225 173.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -42.98 71.43 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.373 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.607 HG23 HD22 ' A' ' 7' ' ' LEU . 89.6 t -58.63 -41.37 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.279 0.632 . . . . 0.0 110.284 173.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.457 ' HB2' HG23 ' A' ' 3' ' ' THR . 23.1 t70 -62.3 -36.11 81.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.131 0.972 . . . . 0.0 111.313 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 30.1 mmtm -66.82 -39.31 87.63 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.39 -42.91 78.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.233 0.613 . . . . 0.0 110.784 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.37 -28.63 68.11 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.317 0.647 . . . . 0.0 110.491 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.167 0.587 . . . . 0.0 110.806 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.622 ' HA ' ' HG2' ' A' ' 81' ' ' GLU . 24.2 mmm180 -75.35 -16.52 60.38 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.127 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -73.77 -29.16 62.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.233 0.613 . . . . 0.0 110.717 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.4 16.26 12.17 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 122.739 0.416 . . . . 0.0 111.237 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.622 ' HG2' ' HA ' ' A' ' 78' ' ' ARG . 40.5 mm-40 -68.8 -42.91 76.67 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 0.0 110.774 169.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -73.39 96.12 2.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -79.14 84.49 5.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.865 0.866 . . . . 0.0 110.948 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.96 145.57 25.95 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.774 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -74.06 120.66 19.94 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -71.77 -19.05 62.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.531 0.732 . . . . 0.0 110.718 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 CA--C 1.553 1.08 0 C-N-CA 124.018 0.927 . . . . 0.0 109.472 171.808 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.566 H382 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mtp . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HA ' ' HB3' ' A' ' 5' ' ' ASP . 42.3 Cg_endo -88.25 41.55 0.64 Allowed 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 123.494 2.796 . . . . 0.0 112.314 -175.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 69' ' ' ALA . 18.9 p -70.52 -76.8 0.1 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.427 0.691 . . . . 0.0 111.463 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.46 -28.95 33.93 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 23.1 t70 -51.76 -62.19 1.78 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.493 1.517 . . . . 0.0 111.995 -176.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . -77.24 -26.68 52.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.161 -173.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.589 HD22 HG23 ' A' ' 72' ' ' VAL . 52.4 mt -67.48 -32.9 74.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.576 0.35 . . . . 0.0 111.49 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -57.76 -48.4 97.25 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.033 -0.984 . . . . 0.0 113.11 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 6' ' ' ALA . 77.3 Cg_exo -54.13 -41.18 77.85 Favored 'Trans proline' 0 C--N 1.404 3.455 0 C-N-CA 122.976 2.451 . . . . 0.0 113.429 171.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.3 -54.22 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.161 0.584 . . . . 0.0 110.369 -176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.9 -44.8 84.17 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.717 0.807 . . . . 0.0 110.421 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.36 -31.9 70.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.668 0.387 . . . . 0.0 111.734 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -76.85 -55.57 5.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 117.798 0.272 . . . . 0.0 111.175 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -54.58 -48.24 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.817 0.847 . . . . 0.0 111.595 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -83.95 -18.77 36.19 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.76 81.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.401 1.08 . . . . 0.0 109.271 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.86 172.14 15.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.382 -168.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -138.53 -19.45 1.07 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.099 0.96 . . . . 0.0 110.668 -176.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 m -83.62 -9.46 58.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.274 1.03 . . . . 0.0 112.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.78 103.19 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-O 121.281 0.563 . . . . 0.0 110.308 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.1 85.45 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.02 135.75 56.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.477 -1.238 . . . . 0.0 113.183 -168.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -118.72 179.59 4.09 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -68.41 -43.28 77.58 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.16 -4.35 50.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 m -60.15 141.21 56.27 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.483 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 79.9 p -166.1 179.72 5.6 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.35 0.66 . . . . 0.0 109.749 -172.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.71 53.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.348 0.659 . . . . 0.0 111.79 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.53 -42.03 17.28 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 168.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' HB3' ' H ' ' A' ' 27' ' ' SER . 33.8 t70 -78.24 -17.69 56.37 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.688 1.195 . . . . 0.0 111.13 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 mt -121.7 108.37 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.99 -31.73 69.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.623 0.769 . . . . 0.0 111.077 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.45 -2.97 57.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.479 0.712 . . . . 0.0 112.278 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -82.96 76.03 9.82 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.36 167.99 0.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.388 1.475 . . . . 0.0 111.467 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -44.61 95.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.625 0.77 . . . . 0.0 109.625 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.0 -11.4 59.57 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.862 0.865 . . . . 0.0 111.759 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.2 m -66.05 -33.51 75.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -55.59 -40.59 72.21 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 123.842 0.713 . . . . 0.0 111.599 169.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.54 -32.58 70.46 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.083 0.401 . . . . 0.0 111.077 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -69.16 -36.49 77.43 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.493 0.717 . . . . 0.0 110.722 173.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.0 mm? -64.03 -52.91 57.21 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.13 0.572 . . . . 0.0 110.219 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -57.31 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.345 1.058 . . . . 0.0 110.338 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.4 -36.17 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 123.592 0.557 . . . . 0.0 111.741 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -65.77 -46.59 78.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.879 0.471 . . . . 0.0 111.262 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.502 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 80.0 mt -65.89 -40.41 91.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.978 0.418 . . . . 0.0 110.586 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.37 -53.04 62.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.704 0.802 . . . . 0.0 111.673 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.49 -41.9 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -66.18 -49.56 66.91 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.33 0.652 . . . . 0.0 111.466 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.539 ' HH ' HD23 ' A' ' 7' ' ' LEU . 75.1 m-85 -86.26 -11.96 50.89 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.261 0.625 . . . . 0.0 112.098 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.81 26.18 11.24 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 19.7 pt -95.72 174.74 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.231 0.612 . . . . 0.0 110.104 -172.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.94 110.27 7.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.7 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 2.1 p90 -128.25 156.95 42.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.583 0.753 . . . . 0.0 110.347 167.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.78 143.25 31.16 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.266 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.43 -26.67 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.87 -176.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.14 -42.43 95.2 Favored Glycine 0 CA--C 1.537 1.446 0 O-C-N 123.033 0.208 . . . . 0.0 112.842 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.551 0.74 . . . . 0.0 110.24 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.725 HD12 HD13 ' A' ' 62' ' ' LEU . 3.2 mm? -65.58 -34.81 79.1 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.727 0.811 . . . . 0.0 112.083 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -61.85 -24.57 66.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.131 0.573 . . . . 0.0 112.192 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.95 -11.97 42.9 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.663 0.785 . . . . 0.0 111.602 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.725 HD13 HD12 ' A' ' 59' ' ' LEU . 38.1 mt -88.34 98.27 11.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.534 ' HA ' H382 ' A' ' 88' ' ' PNS . 0.3 OUTLIER -86.16 -23.28 26.6 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.554 1.142 . . . . 0.0 110.805 -171.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.44 174.79 13.92 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.573 0.349 . . . . 0.0 110.986 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 88.5 t -73.13 -10.71 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.334 1.054 . . . . 0.0 110.754 -175.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.42 -39.36 87.36 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.528 ' HB3' HD22 ' A' ' 62' ' ' LEU . 61.2 m-20 -66.41 -43.32 86.05 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 123.042 0.537 . . . . 0.0 109.87 172.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.0 mm? -63.66 -38.61 91.75 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.152 0.581 . . . . 0.0 111.775 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.579 ' HB2' ' HB ' ' A' ' 3' ' ' THR . . . -61.03 -52.46 64.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.058 0.543 . . . . 0.0 109.84 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 29.5 t70 -59.83 -51.62 68.95 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.145 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.566 ' HG ' HD11 ' A' ' 62' ' ' LEU . 1.9 tm? -56.32 -59.05 5.52 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.163 1.385 . . . . 0.0 111.905 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.589 HG23 HD22 ' A' ' 7' ' ' LEU . 77.6 t -57.96 -37.58 61.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.878 0.871 . . . . 0.0 110.504 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.38 -36.8 79.7 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.125 0.57 . . . . 0.0 111.591 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 2.5 mmmp? -63.49 -41.0 98.56 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.7 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 73.1 mmtt -70.3 -38.46 74.97 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.536 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 50' ' ' TYR . 69.8 mt -69.21 -29.44 67.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.65 0.78 . . . . 0.0 111.321 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.26 81.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.159 0.584 . . . . 0.0 110.019 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -69.91 -24.85 63.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.258 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.13 -10.51 59.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.253 0.621 . . . . 0.0 112.058 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.85 85.23 0.08 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.366 0.603 . . . . 0.0 110.167 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.54 148.0 33.02 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -67.88 -19.03 64.98 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.201 0.6 . . . . 0.0 111.302 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 66.01 96.75 0.05 Allowed 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.238 1.415 . . . . 0.0 109.417 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.77 142.9 56.08 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.295 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -87.49 42.32 1.03 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.921 0.889 . . . . 0.0 110.66 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -111.4 -20.25 12.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.011 1.324 . . . . 0.0 109.6 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.3 t60 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.342 1.457 . . . . 0.0 110.075 -174.215 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.534 H382 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 23.2 ttt . . . . . 0 CA--C 1.562 1.411 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 18.7 Cg_endo -96.56 33.7 0.14 Allowed 'Trans proline' 0 C--N 1.391 2.792 0 C-N-CA 122.527 2.151 . . . . 0.0 111.461 -176.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 73' ' ' ASP . 68.7 p -64.36 -75.85 0.08 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.746 0.819 . . . . 0.0 113.1 -163.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.31 -38.24 86.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.576 0.75 . . . . 0.0 109.86 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.0 -50.5 72.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.58 1.175 . . . . 0.0 111.526 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.54 79.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.522 0.729 . . . . 0.0 110.842 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 HD22 HG21 ' A' ' 72' ' ' VAL . 93.7 mt -66.96 -35.34 79.74 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.379 0.672 . . . . 0.0 110.998 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -53.6 -50.49 82.98 Favored Pre-proline 0 CA--C 1.576 1.961 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -171.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.34 -29.45 72.5 Favored 'Trans proline' 0 C--N 1.396 3.028 0 C-N-CA 122.426 2.084 . . . . 0.0 112.666 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.79 -46.4 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.312 0.645 . . . . 0.0 110.11 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -71.45 -45.12 63.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 0.0 110.005 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.69 -32.59 69.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.048 0.539 . . . . 0.0 112.01 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.26 -60.67 2.56 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.629 0.772 . . . . 0.0 110.289 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.584 HG22 ' HA ' ' A' ' 42' ' ' LEU . 54.0 t -59.63 -47.88 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.834 1.254 . . . . 0.0 112.3 -171.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -88.23 -8.4 55.32 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.814 0.445 . . . . 0.0 111.43 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.19 52.39 2.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.554 1.141 . . . . 0.0 110.376 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -154.25 116.54 4.31 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.266 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.38 -11.34 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.892 0.877 . . . . 0.0 111.697 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m -82.42 -7.65 59.63 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.113 -0.367 . . . . 0.0 111.847 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.99 118.55 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.342 0.657 . . . . 0.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.69 97.25 4.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD21 HG22 ' A' ' 65' ' ' VAL . 74.9 mt -62.78 128.58 36.59 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.803 0.69 . . . . 0.0 111.891 -172.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -112.31 161.11 17.0 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -57.28 -46.58 82.99 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.627 0.371 . . . . 0.0 110.385 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.51 11.56 8.48 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 92.4 m -65.07 96.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.147 0.43 . . . . 0.0 110.88 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.6 p -105.08 -175.95 2.94 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.011 0.524 . . . . 0.0 110.406 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.19 -13.05 15.23 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.757 0.823 . . . . 0.0 112.754 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -86.05 -34.67 20.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 0.0 110.565 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -77.98 -24.79 47.91 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.112 0.565 . . . . 0.0 111.087 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.25 108.06 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.41 -36.78 85.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.086 0.555 . . . . 0.0 111.222 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.99 -5.64 42.56 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.637 0.775 . . . . 0.0 112.643 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -85.08 67.51 10.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.54 0.736 . . . . 0.0 110.058 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.86 171.65 13.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.475 0.71 . . . . 0.0 109.663 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.7 m -52.89 -36.28 59.12 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.69 -33.16 60.34 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.613 0.365 . . . . 0.0 111.043 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -69.24 -31.26 69.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.079 0.552 . . . . 0.0 111.177 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.511 ' HE1' H422 ' A' ' 88' ' ' PNS . 82.6 m-70 -56.72 -42.55 79.41 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.18 0.592 . . . . 0.0 110.809 170.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -62.54 -45.7 91.76 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.714 0.406 . . . . 0.0 110.845 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.5 -39.49 93.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.725 0.81 . . . . 0.0 111.05 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.584 ' HA ' HG22 ' A' ' 14' ' ' VAL . 2.7 tm? -60.45 -49.23 78.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.084 0.954 . . . . 0.0 110.783 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.5 mp -64.35 -53.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.526 -177.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.98 -29.04 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -64.93 -45.89 83.92 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.29 0.636 . . . . 0.0 111.208 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.52 -40.9 98.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.508 0.323 . . . . 0.0 111.463 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.8 mm-40 -60.0 -53.0 63.0 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.938 0.895 . . . . 0.0 111.477 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.43 -42.61 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -65.01 -51.46 61.51 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.258 0.623 . . . . 0.0 112.18 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -96.91 -1.85 44.98 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 58.15 33.75 23.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.236 1.014 . . . . 0.0 110.999 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.2 pt -98.27 175.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.427 0.691 . . . . 0.0 109.514 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -145.25 109.6 4.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.307 0.643 . . . . 0.0 110.192 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -81.75 134.11 35.41 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.38 136.18 33.17 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 167.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.83 -33.52 61.77 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.36 1.064 . . . . 0.0 111.958 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.39 -46.97 93.29 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.41 0.444 . . . . 0.0 113.003 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.39 -38.12 89.92 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.869 0.868 . . . . 0.0 110.195 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.502 HD21 HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -67.44 -37.75 83.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.998 1.319 . . . . 0.0 111.605 -170.244 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.638 HE21 ' HA ' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -71.16 -19.14 62.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.8 -8.3 58.87 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.096 0.558 . . . . 0.0 110.963 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' HG ' ' A' ' 71' ' ' LEU . 25.0 mt -84.57 91.62 7.93 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -77.74 -27.64 50.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 110.661 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.49 HD21 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -159.65 -179.37 7.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 -176.25 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.457 HG22 HD21 ' A' ' 22' ' ' LEU . 91.8 t -67.6 -19.8 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 124.668 1.187 . . . . 0.0 110.897 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.76 -40.92 98.98 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' HB3' HD22 ' A' ' 62' ' ' LEU . 34.8 m-20 -69.51 -41.87 75.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.085 0.554 . . . . 0.0 110.831 174.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.98 -37.19 81.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.187 0.449 . . . . 0.0 110.836 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -56.29 23.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.407 0.683 . . . . 0.0 110.019 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.5 m-20 -61.34 -47.82 84.13 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.86 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.556 ' HG ' HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -69.12 -48.85 61.38 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.652 0.781 . . . . 0.0 111.798 -169.135 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.418 HG21 HD22 ' A' ' 7' ' ' LEU . 89.2 t -58.27 -38.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 122.95 0.5 . . . . 0.0 110.21 174.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.627 ' HB2' HG23 ' A' ' 3' ' ' THR . 16.8 t70 -70.86 -31.0 67.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.123 0.569 . . . . 0.0 111.048 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.4 mmmt -65.84 -35.67 81.33 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.3 mmtt -69.69 -39.49 76.93 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.445 0.698 . . . . 0.0 110.214 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 93.1 mt -68.54 -28.73 67.24 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.644 0.778 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.633 0.773 . . . . 0.0 110.159 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.1 mmm-85 -73.98 -14.46 61.03 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.199 173.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.5 mmtt -84.35 -72.36 0.47 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 122.508 0.323 . . . . 0.0 110.249 171.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.2 mt 40.42 45.57 1.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 124.382 1.073 . . . . 0.0 111.126 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 144.01 57.15 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.238 -166.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -48.01 -55.43 10.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.212 1.405 . . . . 0.0 111.824 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.482 ' HD2' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t-160 176.57 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.319 1.047 . . . . 0.0 110.602 178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m170 59.89 -82.53 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.684 1.194 . . . . 0.0 110.579 -165.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -176.96 14.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.822 1.649 . . . . 0.0 108.965 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -142.82 82.28 1.76 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.646 0.779 . . . . 0.0 108.957 -170.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.482 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 47.0 t-80 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 124.995 1.318 . . . . 0.0 108.055 172.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PNS . . . . . 0.511 H422 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo . . . . . 0 CA--C 1.548 1.175 0 CA-C-O 121.273 0.447 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -76.94 -57.05 4.07 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.277 -164.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.67 -40.21 53.04 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 119.127 0.876 . . . . 0.0 111.619 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.97 -53.79 51.14 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.239 1.016 . . . . 0.0 111.268 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.54 65.86 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.022 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.61 -28.23 26.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.626 0.771 . . . . 0.0 111.742 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -55.83 -47.34 98.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.944 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.78 -33.6 96.16 Favored 'Trans proline' 0 C--N 1.387 2.598 0 C-N-CA 121.98 1.786 . . . . 0.0 112.837 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.8 mm -68.07 -49.82 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.11 0.564 . . . . 0.0 110.455 -177.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.47 -38.49 77.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -61.74 -31.59 71.77 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.821 0.449 . . . . 0.0 111.1 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -75.78 -53.67 8.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.451 0.3 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.7 t -56.63 -53.92 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.38 -1.72 57.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.668 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.98 75.05 0.23 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.194 1.397 . . . . 0.0 111.572 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.38 168.64 26.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.69 -171.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -127.14 -26.97 3.03 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.16 0.984 . . . . 0.0 110.303 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -86.13 -15.56 40.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.026 0.93 . . . . 0.0 112.135 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.21 111.98 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.3 125.71 74.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -80.03 135.17 36.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.497 0.665 . . . . 0.0 111.628 -174.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.18 163.97 27.36 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -67.73 -15.53 63.68 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.02 -15.84 20.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.63 0.772 . . . . 0.0 111.779 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -65.32 129.74 40.82 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.69 0.396 . . . . 0.0 110.313 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 p -132.27 -176.29 4.03 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.876 0.87 . . . . 0.0 109.683 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.78 70.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.293 0.637 . . . . 0.0 111.592 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -66.65 -26.23 66.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.153 0.581 . . . . 0.0 111.328 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.48 -21.55 41.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.238 0.615 . . . . 0.0 111.667 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.55 94.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.16 0.584 . . . . 0.0 110.134 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.48 94.04 1.24 Allowed 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 159.55 -41.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.493 1.917 . . . . 0.0 107.846 -166.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -77.25 115.55 17.12 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.119 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.2 p-10 -135.82 -170.82 2.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.4 m -51.47 -51.84 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.722 1.209 . . . . 0.0 112.571 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -44.03 93.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.472 0.709 . . . . 0.0 110.336 -176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 58.3 m -73.28 -26.98 61.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.953 0.501 . . . . 0.0 111.899 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -68.52 -40.9 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.411 1.085 . . . . 0.0 110.28 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.3 mmm -68.4 -38.19 81.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.925 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -60.61 -39.95 90.05 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.429 0.692 . . . . 0.0 110.392 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.33 -51.19 64.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.905 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.66 -43.48 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.498 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.55 -26.83 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.743 0.701 . . . . 0.0 111.776 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 m -65.26 -40.33 93.81 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.954 0.502 . . . . 0.0 110.569 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.05 -34.33 73.09 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.352 0.261 . . . . 0.0 110.747 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 62.8 mm-40 -60.77 -49.54 77.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.227 1.011 . . . . 0.0 110.881 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -76.7 -46.81 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -68.03 -57.59 5.9 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.548 0.739 . . . . 0.0 112.459 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.96 -5.84 49.81 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.752 0.421 . . . . 0.0 111.493 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 66.57 19.79 10.83 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.6 1.16 . . . . 0.0 111.797 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.9 pt -100.28 142.33 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.992 0.517 . . . . 0.0 110.558 -168.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -102.57 125.66 49.38 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.317 1.047 . . . . 0.0 110.861 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.63 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 98.2 m-85 -108.4 134.83 50.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.599 0.76 . . . . 0.0 109.261 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 146.56 24.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.3 tm? -60.58 -27.94 68.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.384 0.673 . . . . 0.0 110.3 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.25 -34.97 90.12 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 123.298 0.373 . . . . 0.0 112.708 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.5 mt-10 -79.97 -28.03 39.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.647 0.779 . . . . 0.0 110.584 176.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 62' ' ' LEU . 3.8 mm? -62.96 -35.22 79.41 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.503 0.721 . . . . 0.0 110.289 171.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.6 mm-40 -57.68 -24.67 57.9 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.392 0.677 . . . . 0.0 111.612 170.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -96.84 -11.76 24.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.201 1.0 . . . . 0.0 112.029 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 68' ' ' LEU . 85.6 mt -90.71 78.75 6.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.156 0.582 . . . . 0.0 110.365 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 1.8 tmtp? -86.81 -33.36 19.9 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -133.63 170.52 15.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.389 0.676 . . . . 0.0 109.941 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.433 HG11 HD13 ' A' ' 22' ' ' LEU . 41.5 t -69.44 -17.3 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 124.54 1.136 . . . . 0.0 110.729 174.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.65 86.74 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.98 -37.67 86.56 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.303 0.641 . . . . 0.0 110.172 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 62' ' ' LEU . 4.3 mm? -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.307 0.379 . . . . 0.0 110.62 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.96 89.14 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.315 0.579 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 49.6 m-20 -64.41 -58.01 7.68 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.296 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.63 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.6 mm? -61.54 -55.46 30.64 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.45 1.094 . . . . 0.0 111.236 -170.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 79.1 t -48.7 -47.24 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.467 1.107 . . . . 0.0 110.647 175.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.92 -34.81 77.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 69.1 mmtt -68.27 -34.95 77.12 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 73.1 mmtt -72.89 -37.33 67.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 0.0 110.313 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.1 mt -67.93 -29.9 69.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.219 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.27 84.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.093 0.557 . . . . 0.0 109.726 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.1 mmm180 -71.71 -16.97 62.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.812 0.445 . . . . 0.0 110.862 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.8 mmtt . . . . . 0 N--CA 1.479 0.994 0 C-N-CA 123.11 0.564 . . . . 0.0 112.046 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo . . . . . 0 CA--C 1.539 0.767 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 73' ' ' ASP . 82.4 p -64.08 -77.04 0.06 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.025 0.53 . . . . 0.0 111.918 -169.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.94 -36.14 82.44 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.52 -50.01 68.85 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.344 1.458 . . . . 0.0 112.904 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.68 40.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.418 0.687 . . . . 0.0 110.611 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 HG21 ' A' ' 72' ' ' VAL . 96.8 mt -71.36 -35.04 70.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.54 0.336 . . . . 0.0 111.125 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.7 m -53.9 -51.29 78.21 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.929 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.22 -30.44 91.25 Favored 'Trans proline' 0 C--N 1.387 2.564 0 C-N-CA 122.318 2.012 . . . . 0.0 113.166 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.49 -47.38 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.663 0.385 . . . . 0.0 110.341 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.03 -40.27 78.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.291 0.636 . . . . 0.0 109.943 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.94 -33.87 65.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.542 0.737 . . . . 0.0 111.945 173.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -79.81 -56.2 4.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.041 0.537 . . . . 0.0 111.402 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.2 t -56.99 -55.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.514 1.125 . . . . 0.0 111.941 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -83.77 -15.77 47.24 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.28 80.88 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.36 1.064 . . . . 0.0 110.777 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -176.67 114.85 0.11 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.485 1.114 . . . . 0.0 109.048 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -77.72 -9.12 58.83 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.87 0.468 . . . . 0.0 111.525 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -82.41 -12.29 57.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.302 0.641 . . . . 0.0 111.336 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.47 117.83 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.648 0.779 . . . . 0.0 110.715 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.89 98.53 4.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 HG11 ' A' ' 65' ' ' VAL . 93.5 mt -66.33 143.53 57.12 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.623 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -128.09 -179.3 4.91 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -56.57 -55.56 32.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.116 0.566 . . . . 0.0 110.256 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.21 15.62 20.47 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.792 0.837 . . . . 0.0 112.035 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.3 m -65.17 140.44 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 159.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.549 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 99.7 p -166.42 -173.71 2.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.922 0.489 . . . . 0.0 110.278 -171.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -17.02 64.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -86.9 -37.75 17.36 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.256 0.622 . . . . 0.0 109.603 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.549 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.9 t70 -75.0 -18.47 60.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.551 0.741 . . . . 0.0 111.268 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -118.55 107.07 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.42 -38.29 90.59 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.781 0.832 . . . . 0.0 111.126 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -8.67 44.08 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.505 0.722 . . . . 0.0 112.843 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' HZ2' ' HD1' ' A' ' 39' ' ' HIS . 1.9 t-105 -74.33 111.51 9.57 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB2' ' A' ' 38' ' ' SER . 20.9 t70 -117.13 169.23 9.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.205 1.402 . . . . 0.0 108.084 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -49.23 -53.6 20.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.712 0.805 . . . . 0.0 112.031 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -33.1 74.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.06 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 17.5 m -68.03 -35.48 78.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.318 0.647 . . . . 0.0 110.343 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' HD1' ' HZ2' ' A' ' 34' ' ' TRP . 67.9 t60 -65.83 -41.44 91.78 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.937 0.895 . . . . 0.0 110.522 175.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -62.67 -41.62 99.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.44 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.6 -39.58 91.73 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.988 0.805 . . . . 0.0 110.493 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -63.93 -51.51 64.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.412 0.685 . . . . 0.0 111.037 -177.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.38 -48.5 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.404 0.682 . . . . 0.0 110.435 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.58 -27.56 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -66.57 -39.65 88.59 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.513 0.508 . . . . 0.0 110.871 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.85 -36.16 77.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 7.3 mm-40 -64.84 -46.97 79.68 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.783 0.833 . . . . 0.0 111.267 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.98 -44.58 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -63.2 -59.15 5.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.916 0.486 . . . . 0.0 111.423 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -88.78 0.58 56.38 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.943 0.497 . . . . 0.0 111.12 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.293 0.0 OUTLIER 40.23 57.17 2.49 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.536 1.534 . . . . 0.0 112.596 -175.418 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 pt -115.62 -176.73 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.888 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -139.48 109.89 6.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.75 0.42 . . . . 0.0 110.827 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -86.7 139.88 30.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.278 0.631 . . . . 0.0 109.504 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.63 17.87 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -57.48 -37.04 72.27 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.513 0.725 . . . . 0.0 110.658 178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.21 90.32 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 123.696 0.623 . . . . 0.0 112.988 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 71' ' ' LEU . 46.6 mt-10 -79.21 -20.59 47.92 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.067 0.947 . . . . 0.0 111.53 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 56' ' ' LEU . 73.8 mt -77.01 -31.38 56.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.862 0.465 . . . . 0.0 109.776 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -67.57 -18.98 65.2 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.245 0.618 . . . . 0.0 111.423 171.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.16 -13.86 59.46 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.834 0.454 . . . . 0.0 110.915 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 68' ' ' LEU . 68.1 mt -92.84 88.81 6.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.142 0.577 . . . . 0.0 110.141 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HD2' HD22 ' A' ' 64' ' ' ASN . 1.3 tmtp? -85.5 -37.5 19.63 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 172.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.463 HD22 ' HD2' ' A' ' 63' ' ' LYS . 6.1 p30 -142.41 174.64 10.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 22' ' ' LEU . 45.1 t -72.39 -17.38 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.62 1.168 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.1 90.64 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 168.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -71.2 -35.58 71.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.167 0.587 . . . . 0.0 110.591 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 62' ' ' LEU . 3.8 mm? -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 169.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.05 87.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.073 0.549 . . . . 0.0 110.081 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 39.7 m-20 -64.87 -51.62 61.03 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.714 175.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.73 -52.51 60.17 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.111 0.964 . . . . 0.0 110.662 -169.062 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 7' ' ' LEU . 79.4 t -61.33 -35.9 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.815 0.846 . . . . 0.0 110.865 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.512 ' HB2' HG22 ' A' ' 3' ' ' THR . 19.7 t70 -69.62 -27.93 65.49 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.499 0.32 . . . . 0.0 111.238 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.5 mmmm -73.42 -28.26 61.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.704 0.402 . . . . 0.0 110.018 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 73.6 mmtt -74.99 -35.96 62.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.08 0.552 . . . . 0.0 109.978 172.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.4 mt -73.62 -20.23 60.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.397 0.679 . . . . 0.0 109.986 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.79 76.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.003 0.521 . . . . 0.0 109.877 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 36.2 mmt180 -69.1 -29.99 68.2 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.437 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 32.3 mmtp . . . . . 0 N--CA 1.484 1.261 0 C-N-CA 122.774 0.43 . . . . 0.0 110.768 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo . . . . . 0 CA--C 1.545 1.075 0 N-CA-C 112.545 0.171 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 40.7 p -68.48 -63.26 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 124.118 0.967 . . . . 0.0 113.16 -163.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -50.68 -41.37 55.67 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.565 0.746 . . . . 0.0 111.344 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.55 -48.93 68.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.029 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.1 73.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.449 0.7 . . . . 0.0 111.793 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 3' ' ' THR . 87.2 mt -80.76 -19.15 45.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.548 0.739 . . . . 0.0 110.426 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 32.6 m -55.56 -53.94 56.88 Favored Pre-proline 0 CA--C 1.57 1.732 0 CA-C-O 117.747 -1.12 . . . . 0.0 111.966 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 33.6 Cg_exo -61.0 -30.32 89.62 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 122.42 2.08 . . . . 0.0 113.156 175.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.35 -58.39 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.322 0.649 . . . . 0.0 110.374 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.26 -42.55 93.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.292 0.637 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.14 -36.41 70.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.905 0.482 . . . . 0.0 111.87 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -76.45 -51.97 10.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 122.318 -0.239 . . . . 0.0 111.154 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 42' ' ' LEU . 53.9 t -53.77 -55.02 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.454 1.102 . . . . 0.0 112.123 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -80.34 -15.49 56.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.022 0.529 . . . . 0.0 111.317 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.12 74.84 0.42 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 124.705 1.202 . . . . 0.0 108.983 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -163.84 -175.53 4.13 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.667 -167.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.36 -28.6 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.845 0.858 . . . . 0.0 109.717 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 m -75.63 -14.4 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.709 0.804 . . . . 0.0 112.147 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.69 117.55 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.345 0.658 . . . . 0.0 109.833 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.22 109.79 27.68 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.17 128.32 35.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.666 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -126.73 165.95 18.3 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -31.75 68.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 122.759 0.424 . . . . 0.0 111.853 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.54 -17.65 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 65' ' ' VAL . 61.2 m -61.5 116.44 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.983 0.513 . . . . 0.0 111.77 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.4 p -126.22 -175.41 3.36 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.487 0.715 . . . . 0.0 109.711 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.11 63.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -24.96 45.1 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.071 0.396 . . . . 0.0 110.866 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.8 -19.63 48.08 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.724 0.81 . . . . 0.0 111.268 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.92 109.07 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.62 -29.42 70.61 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.305 1.042 . . . . 0.0 111.527 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.63 -19.36 61.46 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -80.98 114.05 19.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.589 0.755 . . . . 0.0 110.354 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.42 176.87 5.66 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.178 1.391 . . . . 0.0 108.68 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -56.98 -34.0 67.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.46 0.704 . . . . 0.0 110.569 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -42.99 93.13 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.28 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 m -66.57 -29.59 69.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.657 0.383 . . . . 0.0 110.666 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -62.74 -44.1 97.08 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.71 0.631 . . . . 0.0 110.791 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.3 -42.04 76.91 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 120.849 0.357 . . . . 0.0 110.643 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -68.39 -35.27 77.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.281 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -58.87 -58.98 6.24 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.502 0.721 . . . . 0.0 110.628 176.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.05 -52.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.224 0.953 . . . . 0.0 110.366 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.29 -31.23 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 m -67.86 -43.72 78.78 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.786 0.434 . . . . 0.0 110.673 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.3 mt -66.86 -32.98 74.61 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.24 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 13.8 mm-40 -65.33 -57.63 7.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.152 0.981 . . . . 0.0 110.306 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.84 -38.01 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -171.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -72.78 -54.9 7.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.858 0.463 . . . . 0.0 112.11 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 52' ' ' ILE . 80.2 m-85 -86.71 -17.19 34.27 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.39 48.31 19.35 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.528 1.131 . . . . 0.0 110.342 -171.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 50' ' ' TYR . 17.7 pt -117.23 -176.29 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.949 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -126.52 123.5 37.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.473 0.709 . . . . 0.0 109.923 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 71' ' ' LEU . 96.7 m-85 -117.76 131.59 56.57 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 167.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -98.41 138.55 35.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 2.9 tm? -60.12 -27.64 67.21 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.484 0.714 . . . . 0.0 109.753 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.31 95.36 Favored Glycine 0 C--N 1.354 1.537 0 O-C-N 123.449 0.468 . . . . 0.0 113.036 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 42.8 mt-10 -66.58 -37.39 84.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.373 0.669 . . . . 0.0 110.082 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.727 HD13 HD12 ' A' ' 62' ' ' LEU . 4.4 mm? -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.565 0.746 . . . . 0.0 111.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 23.8 mm-40 -62.91 -28.67 70.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.768 0.427 . . . . 0.0 111.051 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -81.03 -18.66 45.99 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.502 0.721 . . . . 0.0 110.57 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.727 HD12 HD13 ' A' ' 59' ' ' LEU . 30.2 mt -91.89 107.8 19.47 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.214 0.605 . . . . 0.0 110.173 -173.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -83.92 -27.38 28.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.579 0.751 . . . . 0.0 111.734 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -159.8 -175.06 4.92 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 54.3 t -72.03 -13.11 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.483 1.113 . . . . 0.0 110.576 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.63 -36.59 48.13 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 169.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 62' ' ' LEU . 13.4 m-20 -69.97 -35.91 74.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.928 0.491 . . . . 0.0 110.261 171.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm? -65.79 -32.95 74.77 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.471 0.482 . . . . 0.0 110.174 169.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.71 88.1 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 55.0 m-20 -59.36 -58.2 9.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.262 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.525 1.13 . . . . 0.0 111.786 -164.352 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 95.8 t -60.74 -40.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.168 0.587 . . . . 0.0 110.558 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.92 -31.1 71.47 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.246 0.218 . . . . 0.0 111.004 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 70.3 mmtt -63.62 -43.69 96.12 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.65 0.594 . . . . 0.0 109.575 177.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -68.2 -46.84 69.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.334 0.654 . . . . 0.0 110.36 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.35 -23.71 64.72 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 0.0 111.206 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.39 -41.47 76.42 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.373 0.669 . . . . 0.0 110.965 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.7 mmt180 -73.76 -29.94 62.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.278 0.631 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.684 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo . . . . . 0 CA--C 1.54 0.813 0 N-CA-C 110.787 -0.505 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 m -61.54 -50.45 72.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.857 0.863 . . . . 0.0 112.284 -161.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.23 -53.16 61.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.426 0.69 . . . . 0.0 111.5 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.79 -29.11 63.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.698 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.46 71.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.241 0.616 . . . . 0.0 110.928 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.72 -28.87 62.92 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.543 0.737 . . . . 0.0 110.123 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -54.48 -48.31 95.3 Favored Pre-proline 0 CA--C 1.57 1.737 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -172.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.48 -26.3 76.3 Favored 'Trans proline' 0 C--N 1.394 2.952 0 C-N-CA 122.444 2.096 . . . . 0.0 113.436 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.62 -48.99 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-O 121.508 0.67 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.4 m-85 -70.25 -42.28 72.4 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.294 -175.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.527 HH21 HG22 ' A' ' 21' ' ' VAL . 96.6 mtt180 -58.56 -42.35 87.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 0.0 111.226 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.02 -49.03 79.46 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.003 0.815 . . . . 0.0 110.485 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -54.88 -52.72 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.171 0.988 . . . . 0.0 112.078 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.37 1.88 56.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -172.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 58.2 21.45 8.1 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.516 1.127 . . . . 0.0 111.036 -174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.77 172.87 6.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.93 0.892 . . . . 0.0 110.412 -169.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -144.0 -22.19 0.57 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.716 0.807 . . . . 0.0 110.871 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.9 m -76.49 -17.94 59.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.737 0.815 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 31' ' ' ILE . 64.6 mt -69.06 106.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HH21 ' A' ' 12' ' ' ARG . 77.1 t -118.23 111.76 35.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 65' ' ' VAL . 74.6 mt -73.11 140.13 46.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.762 0.791 . . . . 0.0 111.837 -171.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 172.17 13.07 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.541 -1.663 . . . . 0.0 106.882 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.07 -28.62 64.72 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 9.08 12.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.0 m -60.17 134.51 57.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 168.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.528 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 88.9 p -154.96 176.47 12.48 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.525 0.678 . . . . 0.0 111.296 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.75 -10.29 59.53 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.676 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -95.51 -32.42 12.87 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.677 0.791 . . . . 0.0 109.052 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.528 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.1 t70 -64.6 -26.71 68.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.955 1.302 . . . . 0.0 112.446 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.59 HD13 HG12 ' A' ' 20' ' ' ILE . 75.6 mt -125.89 126.04 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.454 0.702 . . . . 0.0 110.005 -172.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.25 -35.07 77.35 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.022 0.929 . . . . 0.0 111.567 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.73 -15.63 63.01 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.909 0.883 . . . . 0.0 112.448 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -89.65 123.75 33.97 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.52 0.728 . . . . 0.0 109.603 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.19 139.55 50.63 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.766 1.226 . . . . 0.0 110.505 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -36.09 -61.33 0.5 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.005 1.722 . . . . 0.0 114.014 170.673 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.72 -29.02 69.83 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.458 0.703 . . . . 0.0 112.062 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -74.1 -18.27 60.83 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.046 0.539 . . . . 0.0 111.904 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.4 m-70 -52.0 -36.16 49.05 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.301 171.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.7 mmm -61.51 -31.64 71.64 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -64.69 -35.63 81.65 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.641 0.588 . . . . 0.0 110.49 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.9 mm? -65.13 -54.71 25.66 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.738 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -51.46 -57.95 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 124.369 1.043 . . . . 0.0 110.313 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.78 -33.79 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.43 0.456 . . . . 0.0 112.014 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -70.34 -38.81 74.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.117 0.567 . . . . 0.0 111.643 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 50.4 mt -70.35 -36.94 74.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.956 0.502 . . . . 0.0 110.007 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 11.0 mm-40 -61.34 -52.1 66.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.366 1.066 . . . . 0.0 110.74 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.03 -43.33 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.74 -48.23 67.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.188 0.595 . . . . 0.0 111.2 -177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' C ' ' HZ2' ' A' ' 51' ' ' LYS . 96.1 m-85 -94.05 -5.2 48.01 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 60.73 27.13 16.89 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.595 1.158 . . . . 0.0 110.932 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 pt -100.53 177.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -148.04 106.43 3.77 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.702 0.287 . . . . 0.0 111.135 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.66 141.36 30.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.286 0.634 . . . . 0.0 109.574 172.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.66 159.87 15.65 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 162.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -62.13 -26.3 68.23 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.064 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.21 -33.86 88.39 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 120.251 -0.194 . . . . 0.0 112.908 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 5.1 mm-40 -69.17 -42.14 76.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.292 0.637 . . . . 0.0 109.543 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -54.23 -45.85 72.4 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.576 1.151 . . . . 0.0 111.498 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 19.1 mm-40 -55.02 -26.21 35.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.206 1.002 . . . . 0.0 112.768 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -97.49 -9.02 27.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.549 0.74 . . . . 0.0 111.951 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD12 HD13 ' A' ' 59' ' ' LEU . 75.2 mt -83.79 89.46 7.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.303 0.641 . . . . 0.0 109.452 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -87.92 -33.48 18.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.115 0.566 . . . . 0.0 110.391 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -141.13 176.17 9.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.162 0.985 . . . . 0.0 108.93 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 22' ' ' LEU . 61.2 t -69.58 -16.41 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 124.459 1.104 . . . . 0.0 111.263 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.98 90.61 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.12 -41.6 97.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.396 0.678 . . . . 0.0 110.629 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.74 -45.58 85.63 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.57 73.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.096 0.558 . . . . 0.0 110.99 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 14.6 t70 -66.0 -60.96 2.32 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.969 0.793 . . . . 0.0 110.462 174.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.86 -46.2 82.88 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.699 0.399 . . . . 0.0 112.008 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.94 -44.68 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.569 0.748 . . . . 0.0 110.099 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.97 -41.55 92.2 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.633 0.773 . . . . 0.0 112.19 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 39.2 mmtm -67.76 -39.13 84.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 123.652 0.595 . . . . 0.0 111.175 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.44 -26.28 38.46 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.683 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -18.65 42.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.555 0.742 . . . . 0.0 110.928 171.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.59 -34.66 72.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.982 0.513 . . . . 0.0 109.845 166.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -77.39 -27.93 52.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.801 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 122.894 0.477 . . . . 0.0 110.836 177.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo . . . . . 0 CA--C 1.533 0.457 0 N-CA-C 110.944 -0.445 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 57.1 p -63.66 -63.82 1.07 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.045 -171.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.463 HD11 ' HG2' ' A' ' 24' ' ' ARG . 87.8 mt -60.62 -39.77 89.41 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.528 0.731 . . . . 0.0 110.75 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.44 -41.77 76.99 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.106 0.962 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.25 -34.18 49.23 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 0.0 111.158 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 72' ' ' VAL . 93.2 mt -71.15 -32.9 69.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.089 0.556 . . . . 0.0 111.175 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -53.39 -54.75 41.87 Favored Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.512 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.04 -25.55 51.38 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 122.253 1.968 . . . . 0.0 113.19 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.4 mm -65.56 -52.28 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.768 0.427 . . . . 0.0 109.867 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.42 -40.57 96.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.34 -28.55 69.3 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.092 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -78.08 -53.31 7.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.989 0.515 . . . . 0.0 110.494 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' ' 42' ' ' LEU . 62.7 t -51.78 -56.28 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.724 1.21 . . . . 0.0 112.47 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.39 -12.42 56.5 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.634 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.76 64.6 1.14 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.779 1.232 . . . . 0.0 110.088 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -164.3 118.58 1.44 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -8.61 58.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.656 0.782 . . . . 0.0 110.604 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 m -79.5 -11.19 59.9 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.664 0.386 . . . . 0.0 111.561 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.85 117.72 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.287 0.635 . . . . 0.0 110.594 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.65 106.55 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD13 HG11 ' A' ' 65' ' ' VAL . 84.7 mt -77.05 141.83 40.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 111.528 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 p -122.73 177.03 5.63 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 164.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HG2' HD11 ' A' ' 4' ' ' LEU . 42.7 mtm180 -68.61 -45.86 70.82 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 122.144 -0.348 . . . . 0.0 110.837 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.09 5.95 8.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 97.9 m -63.32 95.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.855 0.862 . . . . 0.0 111.191 173.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -92.04 177.02 6.29 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -14.17 42.09 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.1 -30.8 55.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.889 0.876 . . . . 0.0 110.523 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.88 -31.2 69.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.963 0.905 . . . . 0.0 111.199 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.58 110.61 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -67.37 -26.44 66.47 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.271 0.628 . . . . 0.0 111.846 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.35 60.0 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.145 0.578 . . . . 0.0 112.357 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -82.89 70.99 9.99 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.387 0.675 . . . . 0.0 110.734 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.97 167.27 21.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.306 1.042 . . . . 0.0 109.74 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -52.89 -37.51 60.65 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.136 0.974 . . . . 0.0 111.98 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.06 -39.04 93.21 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 110.114 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -31.36 70.79 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.506 0.722 . . . . 0.0 110.997 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -60.98 -42.07 97.67 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.505 0.722 . . . . 0.0 110.839 170.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.2 mmm -61.49 -46.52 89.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.572 0.545 . . . . 0.0 110.61 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.66 -42.86 93.81 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.8 tm? -62.82 -48.39 79.27 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.657 1.183 . . . . 0.0 111.109 -177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 30.4 mm -69.85 -47.79 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.877 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.87 -24.96 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.115 0.416 . . . . 0.0 111.986 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -65.62 -46.33 79.71 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.606 168.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.0 -36.71 84.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.65 0.38 . . . . 0.0 110.943 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 8.9 mm-40 -62.16 -54.15 45.23 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.982 0.913 . . . . 0.0 110.369 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.01 -44.21 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -66.38 -54.56 22.97 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.149 0.579 . . . . 0.0 112.141 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -92.56 -4.92 52.7 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? 62.2 27.77 16.67 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.425 1.09 . . . . 0.0 111.172 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 pt -102.46 -176.38 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.453 0.701 . . . . 0.0 111.203 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -133.19 132.95 42.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.869 0.868 . . . . 0.0 110.286 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.47 ' HZ ' HG22 ' A' ' 72' ' ' VAL . 97.7 m-85 -128.23 142.6 51.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.302 0.641 . . . . 0.0 109.388 164.122 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.14 153.01 22.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.96 -28.77 68.54 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.3 94.6 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 123.306 0.379 . . . . 0.0 112.466 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.9 mt-10 -66.09 -40.62 90.93 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.133 0.573 . . . . 0.0 110.141 174.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 43' ' ' ILE . 4.5 mm? -58.45 -35.54 72.31 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.306 1.042 . . . . 0.0 112.34 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -69.68 -23.68 63.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.81 0.444 . . . . 0.0 111.397 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.42 -9.76 31.81 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 0.0 111.37 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD21 ' HG ' ' A' ' 71' ' ' LEU . 98.2 mt -88.43 102.66 15.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -89.68 -27.86 19.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.993 0.517 . . . . 0.0 110.035 -175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -157.84 178.94 9.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.036 0.534 . . . . 0.0 111.982 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 HD13 ' A' ' 22' ' ' LEU . 41.9 t -68.02 -16.75 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.454 1.101 . . . . 0.0 111.315 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -38.02 56.97 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 34.2 m-20 -63.84 -41.33 97.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 169.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.3 mm? -63.78 -31.37 72.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.066 0.546 . . . . 0.0 111.718 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -51.17 67.43 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.664 0.665 . . . . 0.0 109.811 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 12.5 m-20 -65.69 -41.04 92.88 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.926 176.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.606 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.59 -55.05 9.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.269 0.628 . . . . 0.0 110.535 -170.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 7' ' ' LEU . 95.6 t -54.85 -37.14 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.667 0.787 . . . . 0.0 110.334 174.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.52 -40.55 97.11 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.252 0.621 . . . . 0.0 111.431 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.7 mmmm -64.43 -39.91 94.74 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.474 0.484 . . . . 0.0 109.702 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 71.5 mmtt -68.51 -45.84 71.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.849 0.86 . . . . 0.0 110.539 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.76 -36.72 85.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.671 0.788 . . . . 0.0 110.504 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.59 81.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.648 0.779 . . . . 0.0 110.97 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.27 -34.66 73.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.171 0.588 . . . . 0.0 111.238 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.6 mmtt . . . . . 0 N--CA 1.488 1.463 0 C-N-CA 123.688 0.795 . . . . 0.0 111.922 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 CA--C 1.545 1.038 0 CA-C-O 120.95 0.312 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 31.3 p -62.03 -75.74 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.983 0.913 . . . . 0.0 112.731 -168.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.74 -30.03 71.18 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.815 0.446 . . . . 0.0 110.432 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -55.12 -42.83 73.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.906 0.882 . . . . 0.0 111.59 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.35 20.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.623 0.769 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.02 -39.39 66.02 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.715 0.406 . . . . 0.0 111.65 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -56.57 -50.17 89.34 Favored Pre-proline 0 N--CA 1.485 1.294 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.256 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.99 -27.31 74.24 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 121.779 1.653 . . . . 0.0 113.233 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -70.35 -41.79 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.49 -42.67 87.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.397 0.679 . . . . 0.0 110.363 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.99 -25.19 67.48 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.967 0.507 . . . . 0.0 111.475 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.4 -60.73 1.99 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.199 0.6 . . . . 0.0 111.234 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.21 -44.17 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 124.43 1.092 . . . . 0.0 111.534 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -90.39 -17.56 27.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.093 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.07 80.77 0.17 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.207 1.003 . . . . 0.0 110.841 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.43 108.91 0.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.2 -17.66 61.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.368 0.667 . . . . 0.0 111.891 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -79.24 -6.52 56.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.19 -0.319 . . . . 0.0 111.121 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.51 109.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 172.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.32 101.27 11.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 65' ' ' VAL . 83.6 mt -71.14 135.11 47.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.053 0.454 . . . . 0.0 111.871 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.2 p -130.22 157.5 42.32 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.0 -29.02 70.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.26 15.36 29.02 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -70.35 132.61 45.91 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 167.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -130.46 -175.01 3.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.577 0.626 . . . . 0.0 110.083 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.69 64.39 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.25 -36.89 61.23 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.32 -9.66 59.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.395 0.678 . . . . 0.0 111.518 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -125.84 106.25 15.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.53 -38.66 69.54 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.541 1.136 . . . . 0.0 112.914 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 12.37 22.5 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.242 0.617 . . . . 0.0 112.483 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -88.03 74.84 8.83 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.307 0.575 . . . . 0.0 109.513 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.32 162.68 24.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.187 0.995 . . . . 0.0 111.151 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -35.19 64.25 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.144 0.978 . . . . 0.0 110.922 173.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 37' ' ' LEU . 2.3 mm? -70.69 -35.97 73.06 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.249 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -65.75 -35.43 80.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -54.55 -48.28 72.23 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 123.975 0.797 . . . . 0.0 110.978 170.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.1 mmm -59.37 -43.29 92.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.13 0.572 . . . . 0.0 111.259 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -67.84 -44.44 77.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.888 0.875 . . . . 0.0 111.383 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.59 -43.95 88.14 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.99 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.659 1.183 . . . . 0.0 110.846 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.93 -29.63 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 O-C-N 123.485 0.49 . . . . 0.0 111.457 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -61.1 -46.51 90.3 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.198 0.599 . . . . 0.0 110.796 173.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 52.0 mt -65.36 -42.14 93.1 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.8 -51.14 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.89 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.49 -40.82 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.14 -50.27 49.39 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 89.3 m-85 -82.88 -8.93 59.53 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.32 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 67.45 26.29 8.32 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.052 1.341 . . . . 0.0 111.205 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 pt -101.38 171.27 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.202 1.001 . . . . 0.0 110.412 -175.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -145.99 131.38 18.62 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.033 0.533 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -131.68 157.04 44.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.293 1.037 . . . . 0.0 110.134 174.568 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.34 156.8 17.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.11 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -25.59 65.8 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.45 0.7 . . . . 0.0 109.322 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.99 92.84 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 116.691 -0.231 . . . . 0.0 112.685 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 46.5 mt-10 -72.51 -28.65 63.01 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.325 0.65 . . . . 0.0 110.873 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.723 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -68.85 -30.4 68.92 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.705 0.802 . . . . 0.0 111.048 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.39 -22.34 61.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.585 0.354 . . . . 0.0 110.585 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.57 -5.48 58.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.527 0.731 . . . . 0.0 111.44 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 59' ' ' LEU . 25.8 mt -103.78 126.15 50.72 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -109.23 -26.09 10.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -135.07 173.87 11.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.421 0.688 . . . . 0.0 111.478 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 HD13 ' A' ' 22' ' ' LEU . 39.7 t -64.9 -31.6 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.871 1.269 . . . . 0.0 110.576 172.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.93 79.93 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.274 0.359 . . . . 0.0 112.278 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.98 -41.64 86.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.915 0.486 . . . . 0.0 109.746 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.35 -27.73 65.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.969 0.908 . . . . 0.0 111.429 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -73.46 -45.92 51.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.903 0.881 . . . . 0.0 108.969 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 16.4 t70 -60.85 -36.8 80.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.096 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 62' ' ' LEU . 2.6 tm? -63.65 -55.12 25.97 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.241 1.017 . . . . 0.0 109.973 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 84.6 t -59.28 -36.97 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 123.835 0.709 . . . . 0.0 109.67 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.58 -42.72 97.25 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.764 1.225 . . . . 0.0 111.587 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 42.9 mmtm -69.76 -33.97 73.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.758 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 74.3 mmtt -71.01 -40.98 71.48 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.733 0.813 . . . . 0.0 110.423 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 94.7 mt -64.47 -31.99 73.44 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.03 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.31 73.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.115 0.566 . . . . 0.0 110.783 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 29.6 mmt180 -64.42 -24.42 67.62 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.597 0.359 . . . . 0.0 110.329 173.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 62.9 mttm . . . . . 0 N--CA 1.482 1.162 0 C-N-CA 123.671 0.789 . . . . 0.0 110.991 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.542 0.913 0 CA-C-O 121.609 0.587 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -66.51 -28.0 68.21 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -170.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.88 -52.12 4.75 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.348 0.659 . . . . 0.0 109.79 168.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.57 -51.22 70.83 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.714 1.206 . . . . 0.0 113.678 -169.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.61 79.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.536 0.735 . . . . 0.0 110.746 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 72' ' ' VAL . 41.5 mt -75.86 -24.46 55.75 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.084 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -56.05 -48.81 96.01 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.51 -173.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 -24.31 77.28 Favored 'Trans proline' 0 C--N 1.398 3.142 0 C-N-CA 122.653 2.235 . . . . 0.0 113.487 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.95 -43.91 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.498 0.719 . . . . 0.0 109.587 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 7' ' ' LEU . 22.1 m-85 -69.08 -41.99 76.79 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.053 0.541 . . . . 0.0 109.886 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.33 -25.96 68.54 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.121 0.568 . . . . 0.0 111.768 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -75.14 -55.49 5.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.056 0.543 . . . . 0.0 110.249 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.3 t -62.56 -53.97 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.974 . . . . 0.0 111.72 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -89.04 -13.09 39.52 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.542 0.737 . . . . 0.0 111.824 -173.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 54.75 66.29 1.27 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.93 1.292 . . . . 0.0 110.79 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -154.44 101.43 2.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.752 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.93 -10.35 59.71 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 0.0 111.825 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 p -86.95 1.19 53.53 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.096 -0.377 . . . . 0.0 110.932 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.62 107.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.71 102.5 12.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 65' ' ' VAL . 69.1 mt -65.95 139.26 58.23 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.924 0.868 . . . . 0.0 112.14 -167.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 p -125.44 168.8 13.1 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -68.48 -21.54 64.61 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.61 -4.93 46.87 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 m -59.74 111.15 1.34 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.8 0.44 . . . . 0.0 110.541 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.632 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 4.1 m -126.49 173.89 9.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.17 0.588 . . . . 0.0 110.297 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.25 92.15 8.97 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 8.5 t30 158.81 -63.76 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -146.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.43 -14.21 59.75 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.744 1.218 . . . . 0.0 111.558 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.16 121.77 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.68 -35.25 62.77 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.263 1.025 . . . . 0.0 111.236 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 -5.07 42.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.985 0.914 . . . . 0.0 112.774 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.414 ' HZ3' HG22 ' A' ' 26' ' ' THR . 3.7 t90 -87.06 71.78 10.14 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.995 0.918 . . . . 0.0 109.695 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.64 167.2 13.54 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.595 1.158 . . . . 0.0 111.777 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -46.98 -57.82 4.61 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.982 1.313 . . . . 0.0 112.082 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.3 -34.12 75.58 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.293 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -64.28 -40.23 95.55 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 110.137 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.53 -42.41 98.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.639 1.176 . . . . 0.0 110.927 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -66.5 -35.52 80.45 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.132 0.573 . . . . 0.0 110.924 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.55 -37.55 87.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 124.051 0.845 . . . . 0.0 109.934 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.3 tm? -65.23 -45.5 84.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.333 0.653 . . . . 0.0 110.646 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 59' ' ' LEU . 1.6 mp -62.0 -48.94 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.199 0.6 . . . . 0.0 110.839 -178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.3 -21.85 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.505 0.322 . . . . 0.0 111.793 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -64.87 -44.47 89.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.721 0.408 . . . . 0.0 110.917 170.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.95 -33.44 76.04 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.623 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.52 -53.19 55.76 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.153 0.981 . . . . 0.0 111.145 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.95 -42.75 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -67.17 -62.86 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.373 0.669 . . . . 0.0 111.572 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.45 ' HB2' HG12 ' A' ' 52' ' ' ILE . 97.3 m-85 -92.31 -10.65 37.59 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -167.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 64.47 21.43 12.46 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.212 1.005 . . . . 0.0 111.615 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 50' ' ' TYR . 19.6 pt -97.33 133.67 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -97.65 111.35 23.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.767 1.227 . . . . 0.0 109.356 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -95.15 131.08 41.56 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.83 149.43 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 tm? -59.7 -29.51 68.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.405 0.682 . . . . 0.0 110.571 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.02 -44.77 97.78 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 48.6 mt-10 -68.56 -30.62 69.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.617 0.767 . . . . 0.0 110.601 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 43' ' ' ILE . 2.6 mm? -60.63 -44.36 96.45 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.477 1.111 . . . . 0.0 111.067 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.14 -13.98 62.13 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.949 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -99.46 -6.36 27.75 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.95 0.9 . . . . 0.0 111.729 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 96.0 mt -84.77 103.43 13.84 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.41 -36.55 14.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.108 0.563 . . . . 0.0 110.07 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 15.8 p30 -150.06 -179.09 6.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.931 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 22' ' ' LEU . 60.5 t -70.24 -14.74 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.364 1.065 . . . . 0.0 110.645 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.18 96.55 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 168.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -42.11 79.6 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.056 0.542 . . . . 0.0 109.817 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.61 -37.64 79.14 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.79 98.68 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.66 0.384 . . . . 0.0 110.581 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -64.69 -51.13 64.09 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.749 0.82 . . . . 0.0 110.565 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.7 -54.29 20.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.558 0.743 . . . . 0.0 110.932 -172.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 7' ' ' LEU . 95.6 t -52.99 -42.69 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.86 0.864 . . . . 0.0 110.856 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.04 -42.38 97.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.234 0.613 . . . . 0.0 111.197 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 31.6 mmtp -63.26 -41.68 99.06 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.578 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 62.9 mttm -75.33 -36.88 60.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.519 0.728 . . . . 0.0 110.606 -175.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.18 -34.03 76.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.866 0.467 . . . . 0.0 110.405 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.71 79.27 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.516 0.726 . . . . 0.0 110.977 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.5 mmm180 -73.93 -33.92 64.13 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.078 0.551 . . . . 0.0 110.167 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.2 mmtt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo . . . . . 0 CA--C 1.543 0.934 0 N-CA-C 112.504 0.156 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -63.71 -73.95 0.11 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.827 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 7' ' ' LEU . 70.9 mt -59.36 -32.64 70.3 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.723 0.692 . . . . 0.0 111.375 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.39 -46.34 69.63 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.035 0.934 . . . . 0.0 111.592 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.42 -12.53 27.63 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.753 0.821 . . . . 0.0 112.113 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 4' ' ' LEU . 55.7 mt -80.76 -40.94 24.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.984 0.514 . . . . 0.0 110.043 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -52.23 -49.17 86.32 Favored Pre-proline 0 CA--C 1.571 1.779 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.209 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.94 -31.84 94.26 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.022 1.815 . . . . 0.0 113.146 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -70.54 -47.2 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 123.162 0.585 . . . . 0.0 110.668 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.15 -44.7 75.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.648 0.779 . . . . 0.0 109.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.54 -16.86 63.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.005 0.522 . . . . 0.0 111.878 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -77.27 -56.38 4.61 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.97 0.508 . . . . 0.0 110.15 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 42' ' ' LEU . 55.1 t -57.69 -51.2 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.085 1.354 . . . . 0.0 111.959 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -88.56 -24.13 22.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.606 0.763 . . . . 0.0 111.473 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 59.34 58.82 2.87 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.105 0.962 . . . . 0.0 110.714 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -156.19 119.75 4.34 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.135 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.33 -23.68 54.27 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.321 1.048 . . . . 0.0 111.586 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -62.83 -23.43 67.27 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.855 0.462 . . . . 0.0 111.196 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.79 105.39 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.074 0.95 . . . . 0.0 110.106 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.13 120.7 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.3 137.23 33.1 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.025 0.44 . . . . 0.0 111.157 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -135.7 176.81 8.34 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 166.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.34 -8.34 56.4 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.1 -9.0 16.29 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.149 0.58 . . . . 0.0 111.671 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -65.56 100.47 0.51 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -88.85 169.95 11.15 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.87 70.44 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -22.96 62.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.119 0.968 . . . . 0.0 109.989 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.28 -15.35 58.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.595 0.758 . . . . 0.0 111.331 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.77 96.2 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.081 0.952 . . . . 0.0 109.183 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -75.83 92.04 3.03 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 164.74 -37.55 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.682 1.593 . . . . 0.0 108.228 -164.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.41 124.25 27.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.216 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -129.48 -179.94 5.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.944 1.297 . . . . 0.0 108.837 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -27.24 68.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.237 0.615 . . . . 0.0 109.904 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.85 -43.69 78.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.992 0.917 . . . . 0.0 109.95 173.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -61.21 -36.62 80.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.058 0.543 . . . . 0.0 110.722 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.68 -45.98 77.68 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.06 0.85 . . . . 0.0 110.985 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.3 -41.75 94.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.03 0.532 . . . . 0.0 111.133 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.94 -43.85 94.6 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 124.266 0.979 . . . . 0.0 110.676 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 2.0 mm? -56.71 -62.13 1.94 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.264 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.98 -50.41 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.227 0.954 . . . . 0.0 110.838 -172.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.52 -34.82 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-N 118.513 0.597 . . . . 0.0 112.223 -176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -69.56 -41.54 75.73 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.036 0.446 . . . . 0.0 110.401 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.0 mt -69.29 -31.06 69.3 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.408 0.683 . . . . 0.0 111.422 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 40.6 mm-40 -60.85 -59.41 5.43 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.287 1.035 . . . . 0.0 109.504 175.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.43 -36.88 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.864 -170.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -68.33 -54.42 17.55 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.828 0.451 . . . . 0.0 112.154 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.93 -16.01 39.81 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.54 44.25 18.09 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.748 1.219 . . . . 0.0 111.146 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.07 165.91 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.176 0.59 . . . . 0.0 110.177 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.71 104.45 13.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.146 0.979 . . . . 0.0 110.589 -171.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.495 ' HB3' HD21 ' A' ' 59' ' ' LEU . 98.5 m-85 -87.87 112.31 22.36 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.089 0.955 . . . . 0.0 109.009 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.44 130.28 34.62 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -61.2 -25.57 67.13 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.685 0.794 . . . . 0.0 110.695 -174.111 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -40.07 96.89 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.396 0.435 . . . . 0.0 112.443 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 45.0 mt-10 -67.34 -40.92 85.92 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.551 0.741 . . . . 0.0 110.114 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 62' ' ' LEU . 4.6 mm? -57.72 -36.44 72.03 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.073 0.949 . . . . 0.0 111.593 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -59.77 -21.47 60.82 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.471 0.709 . . . . 0.0 112.699 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' A' ' 61' ' ' LYS . 10.8 mmpt? -107.97 0.66 22.03 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.039 0.936 . . . . 0.0 112.062 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 59' ' ' LEU . 54.4 mt -94.64 90.86 6.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -29.31 36.23 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.256 1.023 . . . . 0.0 110.597 -171.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.563 HD22 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -140.64 171.6 13.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.586 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.01 -24.29 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.559 1.144 . . . . 0.0 111.153 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.98 -37.66 74.03 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 113.143 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.563 ' H ' HD22 ' A' ' 64' ' ' ASN . 69.9 m-20 -67.73 -42.27 82.15 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . 58.0 tp -63.05 -40.54 98.02 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.268 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.91 77.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 0.0 110.664 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.53 -36.65 78.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.083 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 2.5 tm? -70.51 -35.16 73.05 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.031 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 68' ' ' LEU . 92.5 t -62.98 -43.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.774 0.43 . . . . 0.0 110.222 171.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -59.18 -41.13 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.475 0.71 . . . . 0.0 110.483 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -61.92 -43.77 98.16 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.417 1.073 . . . . 0.0 110.839 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.0 mmtt -65.85 -43.8 87.36 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.48 -20.99 62.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.215 0.606 . . . . 0.0 111.262 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.48 27.4 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.534 0.734 . . . . 0.0 110.167 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -73.0 -31.45 64.5 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.545 0.738 . . . . 0.0 110.34 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 C--O 1.236 0.376 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.698 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 CA--C 1.55 1.315 0 N-CA-C 113.35 0.481 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 18.3 p -62.52 -49.76 74.05 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.777 -176.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.6 -43.85 65.62 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.679 0.792 . . . . 0.0 112.189 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.63 -43.84 85.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.316 1.047 . . . . 0.0 111.301 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.19 63.28 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 3' ' ' THR . 95.7 mt -75.29 -29.15 60.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.013 0.525 . . . . 0.0 110.179 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -54.89 -50.03 88.48 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.259 -0.877 . . . . 0.0 113.322 -174.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.38 -25.01 71.17 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 122.117 1.878 . . . . 0.0 112.765 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.5 mm -69.12 -47.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.83 -46.01 80.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.538 0.735 . . . . 0.0 110.491 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.52 -34.9 73.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.78 0.832 . . . . 0.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -70.15 -53.73 15.99 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.484 0.714 . . . . 0.0 110.998 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' ILE . 90.9 t -55.49 -54.6 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.747 0.819 . . . . 0.0 111.338 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 42' ' ' LEU . 83.8 m-85 -84.44 -4.22 58.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 77.51 -9.91 1.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.392 1.077 . . . . 0.0 112.057 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.46 131.31 55.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.5 0.72 . . . . 0.0 110.757 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -86.13 -0.69 56.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.068 0.947 . . . . 0.0 113.432 -174.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -74.64 -15.82 60.8 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.151 0.432 . . . . 0.0 111.338 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -64.76 115.02 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.394 0.677 . . . . 0.0 110.784 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.05 132.24 66.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 mt -97.92 140.03 32.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.81 0.814 . . . . 0.0 111.933 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.6 p -136.36 178.38 7.11 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 126.214 1.805 . . . . 0.0 106.191 170.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.04 -49.79 75.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.422 0.289 . . . . 0.0 111.232 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -88.17 4.97 43.64 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 m -52.24 127.26 21.41 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.195 0.598 . . . . 0.0 110.387 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -141.16 161.31 38.18 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.388 0.675 . . . . 0.0 110.01 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -21.94 64.03 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.43 1.092 . . . . 0.0 113.683 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -35.39 76.58 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.044 0.938 . . . . 0.0 110.385 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.9 -15.01 58.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.714 0.805 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.98 107.96 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.09 -39.97 95.21 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.546 0.739 . . . . 0.0 111.306 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.14 58.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.768 0.827 . . . . 0.0 112.74 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.66 120.38 21.76 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.378 0.671 . . . . 0.0 110.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.4 m-20 -119.42 -172.2 2.27 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.3 1.44 . . . . 0.0 109.741 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.3 m -69.54 -45.41 68.86 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.037 0.935 . . . . 0.0 109.967 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.84 -32.8 74.53 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.866 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 19.5 m -68.59 -41.23 79.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.336 0.654 . . . . 0.0 110.27 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -62.52 -39.37 93.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.819 0.848 . . . . 0.0 110.46 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.8 mmm -73.12 -30.9 63.97 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.886 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.874 0.469 . . . . 0.0 110.136 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.8 mm? -61.99 -57.59 11.11 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.691 0.619 . . . . 0.0 110.487 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.23 -46.08 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 124.332 1.02 . . . . 0.0 111.172 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.77 -29.66 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.1 m -65.14 -40.55 94.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.673 0.389 . . . . 0.0 110.057 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 43.3 mt -71.32 -30.61 66.43 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.565 0.346 . . . . 0.0 110.777 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 7.9 mm-40 -62.33 -55.94 23.26 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.946 0.898 . . . . 0.0 110.722 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.48 -41.55 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.281 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -68.05 -53.56 24.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 0.0 112.161 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' HB3' HD21 ' A' ' 76' ' ' LEU . 90.9 m-85 -93.75 -3.0 52.97 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.862 0.465 . . . . 0.0 112.003 -175.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.96 24.66 14.67 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.01 1.324 . . . . 0.0 111.328 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' HB ' ' HD3' ' A' ' 75' ' ' LYS . 25.3 pt -97.49 -176.68 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.45 0.7 . . . . 0.0 109.852 -171.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -138.57 112.61 8.54 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.287 0.635 . . . . 0.0 110.154 -173.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.36 136.03 42.91 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -104.22 169.16 8.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.28 -35.6 75.91 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.123 0.569 . . . . 0.0 110.475 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.43 93.45 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 34.2 mt-10 -76.8 -24.34 52.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.656 0.782 . . . . 0.0 110.828 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 55' ' ' ALA . 1.2 mm? -67.32 -39.79 85.92 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.918 0.887 . . . . 0.0 109.192 172.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.2 -20.08 63.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.017 0.527 . . . . 0.0 111.393 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.01 -23.75 55.25 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.744 0.818 . . . . 0.0 111.055 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 51.6 mt -84.46 84.27 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.17 0.588 . . . . 0.0 109.65 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -88.37 -25.28 22.8 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.138 0.975 . . . . 0.0 109.342 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.53 176.49 11.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.435 0.694 . . . . 0.0 110.831 172.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' HA ' HD23 ' A' ' 68' ' ' LEU . 57.9 t -69.66 -15.52 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.257 1.023 . . . . 0.0 111.594 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.76 -27.52 73.61 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -78.47 -30.52 47.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.537 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.6 mm? -66.43 -35.53 80.53 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.73 0.695 . . . . 0.0 109.514 168.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.67 98.33 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.72 0.408 . . . . 0.0 109.902 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 25.5 t70 -63.22 -62.54 1.63 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.416 1.073 . . . . 0.0 110.637 177.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.08 -54.04 49.68 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.419 0.688 . . . . 0.0 111.195 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -57.46 -38.8 65.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.612 0.57 . . . . 0.0 110.421 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.31 -46.87 86.8 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.027 0.531 . . . . 0.0 111.546 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 71.2 mmtt -65.37 -34.61 78.71 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.721 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HD3' ' HB ' ' A' ' 52' ' ' ILE . 64.9 mttm -77.08 -38.41 52.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.765 0.826 . . . . 0.0 111.204 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 50' ' ' TYR . 84.8 mt -71.54 -23.6 61.8 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.579 0.549 . . . . 0.0 110.662 176.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -49.07 72.36 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.897 0.748 . . . . 0.0 109.568 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.7 mmt85 -66.98 -18.47 65.4 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.419 0.687 . . . . 0.0 112.284 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 122.911 0.484 . . . . 0.0 110.829 174.047 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 N--CA 1.486 1.036 0 N-CA-C 110.855 -0.479 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 73' ' ' ASP . 53.0 p -63.04 -75.67 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.829 -166.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.15 -30.59 71.71 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.534 0.734 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.66 -56.38 22.62 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.312 1.045 . . . . 0.0 111.138 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.79 73.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.701 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.87 -32.38 70.71 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.638 0.375 . . . . 0.0 111.554 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -54.92 -50.28 87.14 Favored Pre-proline 0 CA--C 1.573 1.849 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.179 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.9 -41.0 78.46 Favored 'Trans proline' 0 C--N 1.393 2.91 0 C-N-CA 122.786 2.324 . . . . 0.0 113.458 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.11 -53.05 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.244 0.618 . . . . 0.0 110.73 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.0 -46.9 79.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.614 0.765 . . . . 0.0 110.609 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.88 -28.93 70.38 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.863 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.3 -58.71 3.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.805 0.442 . . . . 0.0 110.37 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.6 t -56.28 -55.84 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 0.0 112.247 -174.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.96 -21.0 40.73 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.782 0.433 . . . . 0.0 110.651 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 t70 61.17 79.99 0.23 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.046 1.338 . . . . 0.0 110.51 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -167.58 125.84 1.25 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.861 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -73.4 -26.56 61.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.244 1.018 . . . . 0.0 111.784 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -72.62 -9.57 58.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.013 0.525 . . . . 0.0 112.175 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.1 101.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.6 t -116.91 110.75 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 65' ' ' VAL . 90.6 mt -91.08 129.81 37.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.107 0.48 . . . . 0.0 111.9 -169.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -128.33 169.73 13.9 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp-105 -74.61 0.3 15.46 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.14 -3.97 10.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.188 0.595 . . . . 0.0 111.403 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -62.42 138.94 58.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.5 p -150.65 -175.29 5.05 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 109.677 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -12.62 59.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -76.04 -33.61 59.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.75 -24.59 35.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.59 0.756 . . . . 0.0 111.451 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.0 100.07 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.81 -40.17 87.47 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.12 0.968 . . . . 0.0 111.432 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.4 21.37 0.95 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 112.511 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -86.18 76.15 9.78 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 121.814 -0.554 . . . . 0.0 109.98 174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.169 0.988 . . . . 0.0 111.673 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -63.84 -46.6 84.29 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.3 -29.23 67.04 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -71.19 -35.14 71.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.655 0.782 . . . . 0.0 109.811 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -66.88 -41.43 87.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 110.477 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.1 mmm -62.98 -40.43 97.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.81 0.444 . . . . 0.0 110.742 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.87 -35.5 80.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.777 0.673 . . . . 0.0 110.699 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -63.56 -49.05 74.93 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.747 0.819 . . . . 0.0 110.207 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.27 -49.6 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.516 0.727 . . . . 0.0 110.708 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.84 -24.84 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -70.22 -37.61 75.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.991 0.517 . . . . 0.0 110.809 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -36.46 79.33 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 122.861 0.464 . . . . 0.0 110.315 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.18 -59.49 5.23 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.874 0.869 . . . . 0.0 111.505 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.01 -41.48 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -68.86 -58.08 4.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.719 0.408 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -83.24 -15.41 50.44 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 mttp 58.9 43.92 17.35 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.251 1.02 . . . . 0.0 111.53 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.2 pt -105.76 -171.7 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.744 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.14 109.01 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.84 0.745 . . . . 0.0 111.109 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.426 ' HB3' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -88.34 127.58 35.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -92.44 138.33 31.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 164.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.08 -27.0 68.6 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.102 0.561 . . . . 0.0 109.644 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.68 93.52 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.429 -0.351 . . . . 0.0 112.587 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.7 mt-10 -68.63 -35.91 77.93 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.518 0.727 . . . . 0.0 111.166 174.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -61.49 -37.19 82.75 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.473 0.709 . . . . 0.0 111.581 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -21.38 66.16 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.896 0.478 . . . . 0.0 111.911 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -92.65 -9.5 40.7 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.636 0.774 . . . . 0.0 110.723 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 59' ' ' LEU . 73.3 mt -97.6 110.32 22.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.334 0.653 . . . . 0.0 109.284 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -29.24 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.148 0.979 . . . . 0.0 110.692 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -149.36 177.31 9.79 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD22 ' A' ' 22' ' ' LEU . 47.0 t -64.77 -25.04 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 124.405 1.082 . . . . 0.0 111.091 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.31 96.92 Favored Glycine 0 C--N 1.344 1.005 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.23 -42.31 93.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.93 0.492 . . . . 0.0 109.939 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.31 -36.9 85.22 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.738 0.415 . . . . 0.0 111.115 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -59.1 -59.02 6.13 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 -177.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.8 m-20 -59.62 -49.6 77.14 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.215 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 62' ' ' LEU . 2.2 tm? -68.27 -48.3 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.196 0.999 . . . . 0.0 112.217 -170.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 76.2 t -57.04 -39.65 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 175.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 3' ' ' THR . 27.1 t70 -74.4 -24.42 59.11 Favored 'General case' 0 CA--C 1.555 1.149 0 O-C-N 123.377 0.423 . . . . 0.0 111.65 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.9 mmtp -69.21 -31.04 69.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 71' ' ' LEU . 66.6 mttm -82.27 -22.32 35.8 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.21 175.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.0 mt -75.22 -27.89 59.73 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.62 -29.23 65.56 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.039 170.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 31.3 mmt180 -72.91 -26.39 61.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.225 0.61 . . . . 0.0 110.9 170.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mmmp? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.25 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo . . . . . 0 N--CA 1.486 1.078 0 CA-C-O 120.847 0.27 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 p -73.05 -76.54 0.12 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.082 0.953 . . . . 0.0 111.161 -166.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.03 -37.64 85.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.481 0.713 . . . . 0.0 110.416 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.05 -49.49 68.85 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.336 1.055 . . . . 0.0 111.731 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.4 -31.04 37.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.328 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 72' ' ' VAL . 83.9 mt -71.51 -32.99 68.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.722 0.409 . . . . 0.0 111.491 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 87.1 m -54.71 -51.51 78.2 Favored Pre-proline 0 CA--C 1.568 1.658 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.981 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 38.4 Cg_exo -60.94 -26.76 83.71 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 122.329 2.02 . . . . 0.0 113.879 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.79 -53.55 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.22 -44.89 78.42 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.16 0.584 . . . . 0.0 110.301 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -55.01 -38.96 68.58 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.447 0.699 . . . . 0.0 111.85 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -72.32 -58.7 3.19 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 111.293 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 42' ' ' LEU . 98.3 t -61.14 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 124.159 0.983 . . . . 0.0 112.352 -172.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.403 ' CE2' HD21 ' A' ' 42' ' ' LEU . 89.7 m-85 -80.31 -23.29 40.76 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.288 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 t70 59.66 70.58 0.63 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.303 1.002 . . . . 0.0 109.054 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.54 117.5 2.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.013 -176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.91 -20.14 59.84 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.382 1.073 . . . . 0.0 112.346 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m -75.93 -7.01 53.57 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.076 -0.39 . . . . 0.0 112.049 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.07 106.7 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.06 0.544 . . . . 0.0 110.11 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.46 103.82 14.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 174.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.96 130.84 45.69 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.467 0.707 . . . . 0.0 112.435 -171.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -119.35 170.42 9.14 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -66.34 -21.16 66.24 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.406 174.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.61 -2.74 29.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 0.0 112.441 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . 98.5 m -60.79 120.6 10.42 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.496 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 89.7 p -136.84 175.46 9.6 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.759 0.823 . . . . 0.0 110.409 -175.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.19 64.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.862 0.865 . . . . 0.0 112.106 172.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -73.35 -35.65 66.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.385 1.074 . . . . 0.0 111.196 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 27' ' ' SER . 38.9 t70 -74.73 -20.44 59.83 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.64 1.176 . . . . 0.0 113.322 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HE3' ' A' ' 34' ' ' TRP . 52.9 mt -120.16 121.5 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.14 -34.95 75.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.935 0.894 . . . . 0.0 111.428 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.09 9.73 5.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.402 ' HE3' ' HB ' ' A' ' 31' ' ' ILE . 2.6 t90 -96.4 121.51 38.28 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.3 166.41 14.71 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.587 1.155 . . . . 0.0 108.643 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -63.83 -31.5 72.7 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.16 0.584 . . . . 0.0 110.066 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.55 -42.66 92.87 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.556 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -63.95 -37.8 88.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.63 0.772 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 85.4 m-70 -56.37 -44.39 80.12 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.839 0.712 . . . . 0.0 112.014 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.2 mmm -61.39 -29.99 70.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.525 0.202 . . . . 0.0 111.54 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -74.03 -33.59 63.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.275 0.63 . . . . 0.0 110.886 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.524 HD22 HG11 ' A' ' 14' ' ' VAL . 3.8 mm? -60.76 -56.48 20.69 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.221 0.608 . . . . 0.0 109.874 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.02 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.708 1.255 . . . . 0.0 110.065 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.1 -32.79 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -69.37 -39.8 77.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.914 0.485 . . . . 0.0 111.102 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 83.5 mt -68.02 -36.54 80.11 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.9 mm-40 -70.38 -38.21 74.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.035 0.934 . . . . 0.0 112.02 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.9 -47.07 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -66.24 -44.54 83.48 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.85 0.46 . . . . 0.0 111.53 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -93.19 -5.74 49.36 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.921 -0.562 . . . . 0.0 111.263 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.288 0.0 OUTLIER 43.08 41.7 2.89 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 125.371 1.469 . . . . 0.0 112.754 -174.734 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.734 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 24.1 pt -104.27 -173.97 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.074 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -144.14 106.46 4.39 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.549 0.339 . . . . 0.0 110.235 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -88.03 155.74 19.66 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.886 0.874 . . . . 0.0 108.712 164.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.35 148.0 33.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 165.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.33 -26.8 68.93 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -58.42 -44.03 95.49 Favored Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 170.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.15 93.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.501 0.72 . . . . 0.0 110.301 174.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -57.77 -42.52 84.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.385 0.674 . . . . 0.0 111.368 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -67.42 -24.35 65.64 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.843 0.457 . . . . 0.0 111.356 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 39.0 mmtm -81.83 -12.81 58.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.211 0.605 . . . . 0.0 111.227 176.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 67' ' ' ASP . 16.1 mt -84.13 144.63 28.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -118.49 -34.49 4.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.474 0.709 . . . . 0.0 110.033 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -152.44 177.95 10.06 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.774 0.83 . . . . 0.0 111.18 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -72.62 -10.13 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 124.22 1.008 . . . . 0.0 111.162 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.07 -33.45 87.14 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.635 ' HB3' HD22 ' A' ' 62' ' ' LEU . 17.3 m-20 -73.57 -37.68 65.43 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.452 0.701 . . . . 0.0 110.65 174.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.8 mm? -63.64 -40.24 96.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 117.721 0.237 . . . . 0.0 110.432 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.4 88.83 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.871 0.469 . . . . 0.0 109.827 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.2 t70 -64.58 -59.07 4.72 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.484 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' HE2' ' A' ' 75' ' ' LYS . 4.1 mm? -63.41 -50.68 68.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.325 0.65 . . . . 0.0 111.606 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 7' ' ' LEU . 93.7 t -55.82 -44.31 77.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 123.759 0.662 . . . . 0.0 110.41 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.02 -45.34 90.95 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.329 0.585 . . . . 0.0 111.776 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 74.2 mmtt -69.23 -39.43 78.54 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.017 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HE2' HD12 ' A' ' 71' ' ' LEU . 68.5 mttm -73.97 -38.35 64.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.442 0.697 . . . . 0.0 110.612 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 80.5 mt -61.17 -41.73 97.3 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.01 77.42 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.505 0.722 . . . . 0.0 111.466 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.7 mmt180 -69.96 -31.64 69.46 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.148 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.734 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 74.6 mmtt . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.825 0.85 . . . . 0.0 111.694 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 N--CA 1.489 1.246 0 N-CA-C 114.371 0.873 . . . . 0.0 114.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 p -70.47 -68.31 0.44 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.77 -172.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.26 -36.33 63.48 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 118.78 0.718 . . . . 0.0 111.929 -172.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.68 -50.71 65.24 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.337 1.055 . . . . 0.0 111.67 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.42 -23.84 34.66 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.873 0.869 . . . . 0.0 111.576 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.29 -34.11 42.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.265 0.626 . . . . 0.0 110.896 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -55.11 -47.44 98.5 Favored Pre-proline 0 CA--C 1.572 1.799 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.514 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.26 -41.74 57.14 Favored 'Trans proline' 0 C--N 1.393 2.869 0 C-N-CA 122.8 2.333 . . . . 0.0 113.516 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.44 HG21 HD23 ' A' ' 46' ' ' LEU . 34.8 mm -65.5 -51.02 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.055 0.542 . . . . 0.0 110.038 -175.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.47 -39.13 93.65 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.789 0.681 . . . . 0.0 110.829 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.49 ' NH2' HG22 ' A' ' 21' ' ' VAL . 90.2 mtt180 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.189 0.196 . . . . 0.0 111.247 177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -74.81 -47.31 31.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.275 0.23 . . . . 0.0 111.545 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.59 -54.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.187 0.995 . . . . 0.0 111.325 177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.91 -3.96 57.6 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.504 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.06 8.38 6.47 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.76 1.224 . . . . 0.0 111.146 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.04 165.73 12.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.582 1.153 . . . . 0.0 111.054 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -112.11 -40.93 4.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.504 1.121 . . . . 0.0 110.065 -175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 m -80.83 -5.69 57.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.949 0.9 . . . . 0.0 112.771 -166.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -66.61 108.73 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.696 0.399 . . . . 0.0 110.205 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.49 HG22 ' NH2' ' A' ' 12' ' ' ARG . 43.0 t -127.87 98.88 4.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 HG11 ' A' ' 65' ' ' VAL . 98.3 mt -59.18 145.14 43.7 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -165.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 p -137.17 169.38 17.87 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.615 -1.175 . . . . 0.0 107.915 168.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.91 -37.45 76.68 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.358 0.663 . . . . 0.0 112.496 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.54 0.89 53.53 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 65' ' ' VAL . 22.6 m -61.62 93.68 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.916 0.486 . . . . 0.0 111.254 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -92.44 170.45 9.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.225 0.61 . . . . 0.0 110.114 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.34 -11.86 58.73 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.713 0.405 . . . . 0.0 111.859 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.31 -23.4 40.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.75 0.82 . . . . 0.0 110.636 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.73 -17.89 34.62 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.633 0.773 . . . . 0.0 112.283 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.06 116.24 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.04 -30.26 62.33 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.406 0.282 . . . . 0.0 111.091 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.33 -26.25 67.96 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.63 0.772 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -75.93 114.76 14.93 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -132.92 175.51 9.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.313 1.445 . . . . 0.0 107.993 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -50.71 -38.7 48.69 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.839 0.855 . . . . 0.0 111.563 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.16 -40.6 90.65 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.142 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 m -70.92 -30.28 66.56 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.461 0.704 . . . . 0.0 111.25 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -60.12 -45.41 93.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.257 0.623 . . . . 0.0 110.744 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.47 -45.62 93.07 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.698 0.624 . . . . 0.0 110.568 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.45 -44.8 96.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.816 0.846 . . . . 0.0 111.293 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.94 -45.76 80.64 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.657 0.783 . . . . 0.0 110.826 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.6 mp -68.8 -45.53 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.531 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.93 -28.41 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.29 0.495 . . . . 0.0 111.461 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.4 -43.43 94.45 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.59 0.556 . . . . 0.0 110.936 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.44 HD23 HG21 ' A' ' 10' ' ' ILE . 59.0 mt -68.54 -33.73 74.62 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.401 -0.187 . . . . 0.0 110.707 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 56.1 mm-40 -57.59 -56.57 20.22 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.187 0.995 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.12 -40.85 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -67.22 -51.74 49.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.585 0.354 . . . . 0.0 111.699 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -93.98 -2.74 52.67 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.075 0.55 . . . . 0.0 112.139 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 65.44 25.26 11.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.759 1.224 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.0 pt -102.78 178.64 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.222 0.609 . . . . 0.0 110.771 -168.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -147.68 116.08 6.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -95.37 147.89 23.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.108 0.963 . . . . 0.0 109.125 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 158.19 15.56 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 167.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -32.49 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.52 89.08 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 113.168 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -71.89 -33.8 68.65 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.759 0.424 . . . . 0.0 110.764 175.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.45 -31.07 70.98 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.149 0.58 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -58.88 -34.93 72.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.41 0.684 . . . . 0.0 111.274 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -87.63 3.69 46.76 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.034 0.534 . . . . 0.0 112.085 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -99.28 98.03 9.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.81 -29.61 17.48 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.919 0.888 . . . . 0.0 109.256 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -155.93 178.55 10.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.272 0.629 . . . . 0.0 111.146 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 22' ' ' LEU . 25.7 t -68.52 -16.66 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.627 0.771 . . . . 0.0 111.504 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.99 -31.31 72.35 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 27.1 m-20 -68.38 -38.43 81.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.17 -30.21 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.047 0.539 . . . . 0.0 111.24 173.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -52.24 65.14 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 6.7 m-20 -70.03 -38.47 75.88 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.87 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.03 -53.6 19.61 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 123.383 0.673 . . . . 0.0 109.924 -173.086 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 47.5 t -65.61 -28.43 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.101 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -36.2 83.36 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 122.937 0.495 . . . . 0.0 110.961 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.6 mmmt -60.18 -44.29 95.17 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 74.9 mmtt -71.74 -36.56 70.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.169 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 68.8 mt -70.14 -36.49 74.81 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.28 0.632 . . . . 0.0 110.09 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -35.39 72.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.825 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.53 -33.14 62.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.627 0.371 . . . . 0.0 110.992 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.3 mmtt . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 123.636 0.774 . . . . 0.0 112.23 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo . . . . . 0 CA--C 1.544 0.989 0 N-CA-C 113.18 0.415 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 73' ' ' ASP . 46.2 p -73.72 -65.02 0.88 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.826 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.07 -40.0 63.72 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 123.292 0.637 . . . . 0.0 110.766 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.37 -47.41 81.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.61 1.164 . . . . 0.0 111.706 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.73 55.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.249 0.62 . . . . 0.0 111.928 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 72' ' ' VAL . 85.7 mt -79.58 -32.88 42.07 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 123.099 0.559 . . . . 0.0 110.593 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -56.62 -47.29 99.25 Favored Pre-proline 0 CA--C 1.57 1.733 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.985 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.03 -32.49 93.31 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.778 2.319 . . . . 0.0 113.766 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.91 -43.87 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.035 0.534 . . . . 0.0 109.93 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.36 -42.56 75.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.475 0.71 . . . . 0.0 110.373 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.78 -23.93 67.56 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.006 0.522 . . . . 0.0 111.803 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -80.25 -59.84 2.55 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.25 0.62 . . . . 0.0 110.391 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.6 -54.52 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 125.067 1.347 . . . . 0.0 112.23 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -83.37 -23.29 32.5 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.256 0.622 . . . . 0.0 110.8 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 t70 61.21 80.21 0.23 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.414 1.071 . . . . 0.0 110.394 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -163.89 115.03 1.34 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.888 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.88 -29.71 69.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.732 1.213 . . . . 0.0 112.494 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -78.31 -18.56 55.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.986 -0.531 . . . . 0.0 111.981 -168.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.51 114.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 122.868 0.467 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.82 107.58 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 65' ' ' VAL . 89.1 mt -73.59 141.29 46.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -170.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -131.81 174.69 9.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 125.403 1.481 . . . . 0.0 107.053 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -66.98 -28.25 68.11 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.879 0.472 . . . . 0.0 111.592 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -96.8 -8.78 30.24 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.993 0.517 . . . . 0.0 111.66 -174.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -58.77 139.86 55.7 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.6 p -158.47 -179.48 8.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.724 0.81 . . . . 0.0 109.373 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.7 56.0 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.813 0.445 . . . . 0.0 111.567 171.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.91 -31.09 31.56 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.87 -17.74 24.81 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.982 1.313 . . . . 0.0 111.463 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.2 mt -118.85 100.79 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.78 -31.46 72.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.878 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.46 8.43 4.26 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -111.35 131.01 55.5 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.671 0.789 . . . . 0.0 110.233 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.15 171.27 11.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.738 1.215 . . . . 0.0 109.862 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -73.7 -17.32 61.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.4 0.68 . . . . 0.0 111.71 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.34 -41.72 84.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 165.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -73.38 -25.57 60.62 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.864 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.21 -41.63 79.79 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.136 0.574 . . . . 0.0 110.805 171.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.6 mmt -60.82 -49.03 79.11 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.545 0.528 . . . . 0.0 110.674 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.85 -46.7 88.45 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.375 1.047 . . . . 0.0 110.947 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.2 -52.4 59.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.374 1.07 . . . . 0.0 110.941 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -62.08 -46.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.444 0.698 . . . . 0.0 110.794 -175.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.36 -27.6 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.097 0.408 . . . . 0.0 112.062 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -62.49 -42.23 99.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.918 0.487 . . . . 0.0 110.382 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.411 HD22 ' HE2' ' A' ' 50' ' ' TYR . 50.5 mt -71.06 -33.95 70.74 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.752 0.421 . . . . 0.0 111.484 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.5 mm-40 -61.02 -51.69 68.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.777 0.831 . . . . 0.0 110.529 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.76 -37.1 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -67.24 -57.19 7.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.279 0.632 . . . . 0.0 112.306 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' HE2' HD22 ' A' ' 46' ' ' LEU . 62.2 m-85 -92.3 -2.69 56.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.472 -173.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 61.8 33.41 17.76 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.116 0.966 . . . . 0.0 110.926 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 75' ' ' LYS . 29.0 pt -107.19 176.21 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 0.0 110.386 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -140.92 105.8 4.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -82.3 133.88 35.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.07 152.35 18.84 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.8 tm? -57.86 -29.33 64.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.313 0.645 . . . . 0.0 110.587 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -38.11 95.5 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.189 0.306 . . . . 0.0 112.963 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.71 -25.79 53.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.762 0.825 . . . . 0.0 110.756 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 62' ' ' LEU . 3.1 mm? -68.37 -37.08 80.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.023 0.929 . . . . 0.0 110.375 172.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -61.6 -18.0 57.52 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.162 0.585 . . . . 0.0 112.318 171.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -95.46 -0.03 52.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.404 0.682 . . . . 0.0 112.453 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 59' ' ' LEU . 70.8 mt -98.11 93.45 6.28 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.295 0.498 . . . . 0.0 109.993 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -102.63 -30.89 10.66 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.687 0.795 . . . . 0.0 109.351 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -134.64 170.73 15.37 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.23 0.612 . . . . 0.0 109.479 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 22' ' ' LEU . 21.9 t -66.96 -20.58 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.808 0.843 . . . . 0.0 110.098 170.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.65 -42.33 87.92 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.93 -42.51 99.19 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.25 0.62 . . . . 0.0 110.33 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.6 tp -68.59 -29.47 68.01 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.87 75.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.363 0.665 . . . . 0.0 109.929 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 71.8 m-20 -64.45 -45.98 85.08 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.828 173.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -64.06 -49.63 71.57 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.061 0.85 . . . . 0.0 110.375 -173.602 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 7' ' ' LEU . 71.0 t -59.62 -40.44 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.785 0.834 . . . . 0.0 110.298 175.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.562 ' HB2' HG21 ' A' ' 3' ' ' THR . 15.5 t70 -64.67 -35.37 80.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.173 0.589 . . . . 0.0 110.98 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.6 mmmt -67.15 -37.26 83.49 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.25 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 75.2 mmtt -70.61 -38.03 73.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.518 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 78.7 mt -74.27 -22.29 59.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.505 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.85 83.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.286 0.634 . . . . 0.0 109.701 169.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 21.2 mmt180 -68.47 -34.07 75.29 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.873 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.38 0.672 . . . . 0.0 110.176 179.178 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 CA--C 1.542 0.889 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -65.68 -61.44 2.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 69' ' ' ALA . 83.8 mt -56.1 -37.3 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.398 1.061 . . . . 0.0 110.683 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.72 -46.59 89.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.04 0.936 . . . . 0.0 111.595 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -31.55 67.93 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.688 0.795 . . . . 0.0 111.325 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 3' ' ' THR . 88.4 mt -77.89 -30.02 50.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -54.51 -47.59 97.35 Favored Pre-proline 0 N--CA 1.493 1.696 0 CA-C-O 118.058 -0.972 . . . . 0.0 113.463 -172.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.86 -31.62 91.83 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.162 1.908 . . . . 0.0 113.232 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 46' ' ' LEU . 28.4 mm -67.57 -44.67 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.939 0.495 . . . . 0.0 109.816 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 7' ' ' LEU . 6.1 m-85 -69.16 -38.58 78.83 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.247 0.619 . . . . 0.0 110.67 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.9 -23.42 64.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.867 0.467 . . . . 0.0 111.828 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -77.3 -58.17 3.42 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.399 0.679 . . . . 0.0 110.442 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LEU . 65.4 t -60.06 -52.41 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 111.941 -176.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -82.82 -11.15 58.48 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.42 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.47 80.63 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.179 0.991 . . . . 0.0 110.344 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -164.76 173.98 11.2 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.44 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -133.5 -27.51 1.53 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.785 0.834 . . . . 0.0 110.867 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -82.79 -16.01 49.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.664 0.786 . . . . 0.0 112.042 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -67.05 106.2 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.74 111.1 34.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 HG11 ' A' ' 65' ' ' VAL . 57.1 mt -64.31 130.38 43.59 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.199 0.312 . . . . 0.0 111.585 -169.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.4 p -125.48 167.42 15.04 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -66.48 -15.32 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.36 0.664 . . . . 0.0 112.234 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.01 -4.38 15.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.919 0.887 . . . . 0.0 112.331 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.1 m -58.67 134.03 56.43 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.581 0.352 . . . . 0.0 110.501 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.434 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 51.4 p -167.17 -170.72 1.57 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.602 0.761 . . . . 0.0 109.611 -173.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 34' ' ' TRP . . . -77.06 4.58 9.84 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 168.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -96.13 -39.71 9.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HB3' ' H ' ' A' ' 27' ' ' SER . 32.5 t70 -74.08 -33.8 63.78 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.183 172.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.4 mt -121.15 102.3 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.82 -25.96 68.41 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.452 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.96 -4.58 57.0 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 2.1 t90 -80.56 85.31 5.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.263 0.625 . . . . 0.0 110.211 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.31 161.15 28.98 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.804 168.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -69.38 -23.43 63.74 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.832 0.707 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -48.12 81.99 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.204 0.601 . . . . 0.0 109.538 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 m -73.86 -30.04 62.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.423 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.62 -48.32 79.92 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mmm -67.32 -40.17 85.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.62 0.368 . . . . 0.0 110.43 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.99 -37.5 74.36 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.107 0.88 . . . . 0.0 110.766 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 11' ' ' PHE . 3.2 tm? -66.81 -52.59 42.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.413 0.685 . . . . 0.0 110.738 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.634 HG12 HD22 ' A' ' 59' ' ' LEU . 1.7 mp -61.22 -44.71 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.29 0.636 . . . . 0.0 111.043 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.21 -28.7 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 123.048 0.218 . . . . 0.0 111.57 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -63.79 -41.0 98.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.826 0.45 . . . . 0.0 110.757 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 10' ' ' ILE . 61.6 mt -64.61 -40.26 95.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.56 -54.05 45.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.706 0.802 . . . . 0.0 111.802 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.88 -38.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -66.48 -56.14 12.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.297 0.639 . . . . 0.0 111.841 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 76' ' ' LEU . 97.4 m-85 -87.89 -0.58 57.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 63.02 33.78 14.48 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.505 1.122 . . . . 0.0 110.336 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 20.7 pt -110.24 -175.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.97 0.908 . . . . 0.0 109.69 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.41 122.16 5.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.236 0.214 . . . . 0.0 110.432 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.597 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 82.6 m-85 -105.23 142.45 34.98 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.156 0.982 . . . . 0.0 108.534 171.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.79 152.51 20.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.582 0.753 . . . . 0.0 109.195 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.32 -35.33 62.57 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.375 1.07 . . . . 0.0 112.545 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.39 99.47 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.321 0.388 . . . . 0.0 112.462 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.05 -30.26 70.28 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.949 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 43' ' ' ILE . 29.9 mt -67.84 -37.93 82.53 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.966 0.506 . . . . 0.0 110.48 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -69.78 -8.53 48.93 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.256 0.622 . . . . 0.0 112.097 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -97.6 -9.88 26.14 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.388 0.675 . . . . 0.0 110.684 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD21 ' HG ' ' A' ' 71' ' ' LEU . 88.5 mt -82.28 85.94 6.76 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -80.85 -32.49 35.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.09 0.472 . . . . 0.0 110.459 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -141.41 173.51 11.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.323 1.049 . . . . 0.0 109.509 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 22' ' ' LEU . 31.4 t -74.16 -12.33 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.032 0.933 . . . . 0.0 110.522 174.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.07 91.25 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.9 -38.19 88.08 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.217 0.607 . . . . 0.0 110.384 172.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.74 -33.83 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.604 0.362 . . . . 0.0 111.243 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -59.07 -51.81 68.45 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 4.3 m-20 -62.82 -51.8 65.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.639 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.597 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.4 mm? -61.04 -53.78 52.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.848 0.859 . . . . 0.0 111.332 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 96.9 t -57.22 -40.68 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.014 0.526 . . . . 0.0 110.444 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.52 -37.95 82.82 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.891 0.476 . . . . 0.0 111.763 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 73.0 mmtt -69.45 -39.07 78.0 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.378 0.424 . . . . 0.0 110.284 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.3 mmtt -70.72 -38.2 73.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.248 0.619 . . . . 0.0 110.631 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 57.3 mt -75.84 -26.32 57.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.415 0.686 . . . . 0.0 110.805 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.74 87.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.841 0.457 . . . . 0.0 109.855 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.5 mmm180 -69.45 -28.0 65.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.19 0.596 . . . . 0.0 110.681 173.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 123.958 0.903 . . . . 0.0 113.149 178.688 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo . . . . . 0 N--CA 1.491 1.363 0 CA-C-O 120.953 0.314 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 17.0 m -74.63 -51.9 13.17 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.158 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 69' ' ' ALA . 85.0 mt -57.72 -42.2 83.3 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.688 0.395 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -55.01 -50.39 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.058 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.29 89.26 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.8 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 46' ' ' LEU . 72.6 mt -75.0 -27.07 60.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.175 0.59 . . . . 0.0 111.416 -175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.457 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 95.8 m -56.07 -50.98 84.24 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.698 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.1 Cg_exo -59.5 -28.86 88.56 Favored 'Trans proline' 0 C--N 1.394 2.923 0 C-N-CA 122.411 2.074 . . . . 0.0 113.723 172.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.59 HG21 HD23 ' A' ' 46' ' ' LEU . 14.3 mm -71.02 -42.66 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.56 -47.01 77.31 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.322 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.53 -20.88 65.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.36 0.664 . . . . 0.0 112.131 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.5 -59.42 2.73 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.322 0.649 . . . . 0.0 110.291 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.2 t -58.12 -54.31 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.597 1.159 . . . . 0.0 112.04 -173.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.98 -23.04 28.9 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.985 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.16 82.96 0.14 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.77 1.228 . . . . 0.0 110.347 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.64 166.73 26.38 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 -171.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.75 -24.49 7.17 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.734 0.813 . . . . 0.0 110.192 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 m -80.38 -8.55 59.56 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.914 0.886 . . . . 0.0 111.455 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.89 99.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.33 96.91 4.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 65' ' ' VAL . 92.7 mt -66.24 136.63 56.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.944 -167.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -134.32 172.76 12.43 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -62.54 -41.77 99.1 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.86 0.5 57.47 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 65' ' ' VAL . 91.6 m -58.08 98.91 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.416 0.686 . . . . 0.0 112.069 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -95.09 172.64 8.01 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.369 0.604 . . . . 0.0 110.883 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -22.69 62.46 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.263 166.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -78.81 -31.08 45.73 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.526 0.73 . . . . 0.0 110.197 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.37 -30.29 67.17 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.995 0.918 . . . . 0.0 111.166 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.5 107.4 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.06 -36.96 78.47 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.252 0.621 . . . . 0.0 110.694 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.53 -16.95 64.19 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.069 0.948 . . . . 0.0 112.916 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -91.39 63.52 4.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.332 0.653 . . . . 0.0 110.424 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.48 163.51 27.89 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.742 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -46.29 -40.7 12.09 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.66 1.184 . . . . 0.0 112.407 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 37' ' ' LEU . 2.3 mm? -64.42 -44.8 90.06 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.789 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -69.78 -28.66 65.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.652 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -59.49 -46.58 88.4 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.45 0.7 . . . . 0.0 110.551 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.1 mmm -58.31 -45.73 87.47 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.622 0.576 . . . . 0.0 110.886 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -67.43 -38.85 85.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.411 0.684 . . . . 0.0 111.427 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -64.03 -50.75 67.24 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.682 0.793 . . . . 0.0 110.968 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.7 mp -65.23 -45.74 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.905 0.882 . . . . 0.0 110.633 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.36 -25.86 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 118.009 0.368 . . . . 0.0 111.83 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -68.73 -38.86 80.49 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.807 0.443 . . . . 0.0 110.971 171.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.59 HD23 HG21 ' A' ' 10' ' ' ILE . 81.7 mt -63.16 -37.09 85.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 44.1 mt-10 -67.8 -49.32 62.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.495 0.718 . . . . 0.0 111.678 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -38.03 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -64.94 -58.35 6.36 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.657 0.383 . . . . 0.0 111.631 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -90.04 -4.33 57.45 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.033 0.533 . . . . 0.0 112.397 -171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.63 47.46 22.55 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.396 1.078 . . . . 0.0 110.547 -175.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.48 156.8 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.948 0.899 . . . . 0.0 109.765 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -111.8 116.2 30.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.051 0.94 . . . . 0.0 108.534 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -95.61 126.48 40.92 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.87 148.76 21.83 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.96 -35.6 69.32 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.099 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -57.54 -49.93 69.35 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.829 0.705 . . . . 0.0 112.483 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.26 -35.72 76.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.919 0.888 . . . . 0.0 111.46 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.75 -36.89 81.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.487 0.715 . . . . 0.0 111.621 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -73.96 -21.12 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.734 0.414 . . . . 0.0 111.367 174.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 28.8 mmmt -80.87 -11.14 59.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.515 0.326 . . . . 0.0 111.303 174.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.11 139.29 38.1 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -120.38 -36.77 3.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.839 0.856 . . . . 0.0 109.301 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -177.11 6.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.894 0.877 . . . . 0.0 110.827 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 22' ' ' LEU . 20.7 t -71.49 -15.59 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.216 0.606 . . . . 0.0 111.243 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.78 -32.19 73.82 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 171.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -68.36 -41.08 81.15 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.83 -28.69 69.73 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.135 0.574 . . . . 0.0 111.42 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -65.49 -52.04 55.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.59 0.709 . . . . 0.0 109.455 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 22.9 t70 -64.93 -46.75 80.33 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.967 -1.469 . . . . 0.0 110.223 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.23 -53.07 18.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.955 1.302 . . . . 0.0 111.614 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.435 HG11 HD21 ' A' ' 7' ' ' LEU . 49.4 t -66.35 -27.17 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 117.913 0.324 . . . . 0.0 110.61 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.66 -30.28 65.55 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 72.8 mmtt -67.49 -35.0 78.3 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.1 mmtt -63.81 -46.9 83.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.206 0.602 . . . . 0.0 109.776 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.15 -26.7 66.79 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.7 0.8 . . . . 0.0 110.901 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 -19.78 58.26 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.234 1.014 . . . . 0.0 110.822 175.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 25.7 mmm180 -85.7 -28.7 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.179 0.592 . . . . 0.0 110.808 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.8 mmtt . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 N-CA-C 113.895 0.691 . . . . 0.0 113.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -58.69 3.12 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.98 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.446 HD23 HD12 ' A' ' 7' ' ' LEU . 87.8 mt -53.06 -36.42 60.6 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.901 0.88 . . . . 0.0 112.534 -173.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.13 -54.28 38.05 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.639 1.176 . . . . 0.0 110.823 172.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.46 -26.42 60.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.405 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 4' ' ' LEU . 67.7 mt -76.96 -29.84 55.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.505 0.722 . . . . 0.0 110.972 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.452 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 92.2 m -53.21 -51.62 73.59 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.596 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.4 Cg_exo -59.05 -33.01 98.47 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 122.302 2.001 . . . . 0.0 113.225 173.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.9 -55.21 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.949 0.5 . . . . 0.0 110.375 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -42.95 88.91 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.697 0.799 . . . . 0.0 110.595 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -64.42 -25.26 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.733 0.413 . . . . 0.0 111.885 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -79.46 -52.07 8.52 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.307 0.503 . . . . 0.0 110.515 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 42' ' ' LEU . 77.2 t -56.77 -51.44 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.811 1.245 . . . . 0.0 112.158 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.76 -17.89 39.66 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.887 0.475 . . . . 0.0 111.361 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t70 62.21 77.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.897 1.279 . . . . 0.0 110.458 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -161.07 176.83 10.92 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.117 -172.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -136.05 -22.21 1.39 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.541 0.736 . . . . 0.0 111.051 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 m -89.55 -3.14 58.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.693 0.797 . . . . 0.0 111.317 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.88 104.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.5 101.19 12.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD22 HG11 ' A' ' 65' ' ' VAL . 93.4 mt -74.97 140.53 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.057 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -136.3 173.0 12.19 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -78.74 7.86 6.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.199 0.6 . . . . 0.0 111.575 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -126.98 -7.23 6.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.861 0.864 . . . . 0.0 111.807 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 64' ' ' ASN . 96.8 m -58.88 127.45 32.29 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.102 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.9 p -136.64 -172.53 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.853 0.861 . . . . 0.0 110.524 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -18.09 11.8 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 168.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.81 -42.27 86.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.004 0.521 . . . . 0.0 110.384 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.18 -28.6 31.98 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.745 0.818 . . . . 0.0 110.395 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -117.29 88.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.61 -28.4 67.15 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.672 0.789 . . . . 0.0 111.878 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.17 60.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.586 1.154 . . . . 0.0 112.841 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -74.39 118.54 17.46 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.3 0.572 . . . . 0.0 110.003 -176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -120.56 -179.25 3.92 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.949 1.7 . . . . 0.0 107.961 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.0 m -74.56 -18.87 60.52 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.95 -0.469 . . . . 0.0 111.605 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.29 -36.77 61.12 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 169.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.33 -35.28 79.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.724 0.409 . . . . 0.0 110.632 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.89 -52.45 49.7 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.58 0.752 . . . . 0.0 110.239 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.4 mmm -65.57 -44.56 86.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 -174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -60.1 -49.34 78.05 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.788 0.68 . . . . 0.0 110.618 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.1 tm? -64.62 -45.22 87.81 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.429 1.091 . . . . 0.0 110.992 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.5 mp -69.6 -44.53 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.691 0.797 . . . . 0.0 111.249 -174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.65 -28.4 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.969 0.35 . . . . 0.0 110.949 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.1 m -63.74 -41.26 98.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.285 0.634 . . . . 0.0 110.605 171.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 52' ' ' ILE . 88.3 mt -66.35 -39.2 89.03 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 51.4 mt-10 -67.83 -45.99 73.09 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.253 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -74.81 -39.3 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -70.74 -55.64 8.17 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.011 0.524 . . . . 0.0 111.577 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HB3' HD21 ' A' ' 76' ' ' LEU . 84.0 m-85 -88.68 -6.78 57.24 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.348 0.659 . . . . 0.0 112.269 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.31 22.33 9.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.076 0.95 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 46' ' ' LEU . 21.4 pt -98.18 -174.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.777 0.831 . . . . 0.0 109.11 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -149.05 125.66 11.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.875 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -109.25 136.36 48.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -98.05 164.1 12.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.26 -28.03 66.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.026 0.531 . . . . 0.0 109.901 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -39.9 98.06 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.324 0.39 . . . . 0.0 112.893 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.9 mm-40 -66.66 -39.19 88.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.125 0.57 . . . . 0.0 110.0 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 62' ' ' LEU . 3.9 mm? -60.43 -36.68 78.77 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.447 1.099 . . . . 0.0 111.672 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.3 -35.43 79.03 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.223 0.609 . . . . 0.0 111.502 171.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -77.41 -14.46 59.7 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.096 0.558 . . . . 0.0 111.485 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 81.1 mt -87.23 95.58 10.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.307 0.643 . . . . 0.0 109.712 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -100.69 -15.09 17.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.067 175.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 66' ' ' GLY . 6.7 p-10 -164.84 174.56 10.49 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.968 0.413 . . . . 0.0 111.228 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HD22 ' A' ' 22' ' ' LEU . 59.2 t -62.99 -21.73 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 124.999 1.319 . . . . 0.0 111.876 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 64' ' ' ASN . . . -68.4 -32.76 75.98 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.068 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.68 -41.07 84.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.216 -0.421 . . . . 0.0 109.99 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.0 -38.62 86.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 117.855 0.298 . . . . 0.0 110.498 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.932 0.493 . . . . 0.0 110.13 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.35 -58.09 7.47 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.287 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.91 -48.6 78.26 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.617 0.573 . . . . 0.0 111.724 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.82 -41.44 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 122.977 0.511 . . . . 0.0 110.511 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.25 -39.98 93.39 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -67.97 -37.98 82.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.045 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -77.53 -27.79 51.78 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 50' ' ' TYR . 58.2 mt -76.7 -23.73 53.14 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.737 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.961 0.504 . . . . 0.0 110.246 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -73.62 -33.76 64.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.425 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 76' ' ' LEU . 5.5 mmtm . . . . . 0 N--CA 1.485 1.295 0 C-N-CA 123.738 0.815 . . . . 0.0 112.086 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 N--CA 1.485 1.007 0 CA-C-O 120.474 0.114 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.657 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 3.1 p -54.55 -75.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.062 0.945 . . . . 0.0 113.492 -166.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -77.17 -34.93 56.26 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.859 0.754 . . . . 0.0 110.45 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.3 -54.96 24.81 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 125.224 1.409 . . . . 0.0 112.272 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.17 -24.09 57.82 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.72 -175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 3' ' ' THR . 28.4 mt -77.87 -27.8 49.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.192 -0.432 . . . . 0.0 112.109 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -58.07 -47.29 99.12 Favored Pre-proline 0 CA--C 1.574 1.894 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.818 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.45 -29.48 62.24 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 122.132 1.888 . . . . 0.0 113.117 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.24 -55.98 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.1 -43.73 86.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.044 0.938 . . . . 0.0 110.318 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -57.88 -35.85 71.57 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.472 0.309 . . . . 0.0 111.194 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -71.23 -51.84 22.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.671 0.388 . . . . 0.0 111.24 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 42' ' ' LEU . 61.4 t -54.0 -53.33 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.603 1.161 . . . . 0.0 112.258 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -83.06 -11.93 57.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.989 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.0 t70 63.11 71.13 0.52 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.691 1.196 . . . . 0.0 109.481 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -157.43 173.04 17.51 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.487 -166.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -141.5 -25.52 0.7 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.028 0.931 . . . . 0.0 110.642 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.6 m -70.28 -20.81 63.02 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.825 0.85 . . . . 0.0 111.495 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.23 114.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.856 0.862 . . . . 0.0 111.475 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -120.72 110.7 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 65' ' ' VAL . 90.0 mt -78.43 140.36 38.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.051 0.453 . . . . 0.0 111.948 -170.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -129.19 167.76 17.15 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -66.58 -18.54 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.972 0.509 . . . . 0.0 112.13 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -114.36 8.62 16.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -63.46 134.12 55.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.91 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 p -155.08 174.88 14.56 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.294 0.497 . . . . 0.0 111.881 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.65 91.91 5.96 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 172.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 156.2 -60.72 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 -150.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.89 -19.45 54.72 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.934 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.67 137.48 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.003 0.921 . . . . 0.0 109.661 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.02 -41.54 14.75 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.899 0.879 . . . . 0.0 110.741 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.67 60.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.115 0.966 . . . . 0.0 112.962 -173.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -91.82 75.2 5.69 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.071 0.948 . . . . 0.0 109.604 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -77.73 173.29 12.23 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.049 0.539 . . . . 0.0 110.561 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -36.22 83.32 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.199 0.6 . . . . 0.0 111.816 -172.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.65 -27.57 65.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.857 0.463 . . . . 0.0 111.015 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -71.42 -31.64 67.46 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.067 0.547 . . . . 0.0 111.209 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -64.62 -41.3 96.28 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 122.597 0.359 . . . . 0.0 110.606 170.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -58.74 -47.7 83.73 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.4 0.438 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.75 -37.73 88.6 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.842 0.714 . . . . 0.0 110.97 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.9 tm? -61.92 -54.56 40.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.828 0.851 . . . . 0.0 111.346 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 59' ' ' LEU . 1.7 mp -65.46 -44.89 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.577 0.751 . . . . 0.0 110.561 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 m -67.19 -29.46 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.302 0.501 . . . . 0.0 111.846 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -62.8 -42.71 99.83 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.918 0.487 . . . . 0.0 110.403 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.03 -43.67 94.88 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.749 0.419 . . . . 0.0 110.58 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.5 -44.1 97.21 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.399 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.18 -42.51 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -63.11 -54.32 39.76 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.294 0.638 . . . . 0.0 111.927 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -88.56 -4.1 58.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.113 0.565 . . . . 0.0 112.012 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 59.63 41.2 19.11 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.9 0.88 . . . . 0.0 110.837 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.7 pt -113.3 -174.03 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.1 0.96 . . . . 0.0 110.305 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -160.84 132.9 5.92 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -107.84 150.79 26.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.617 0.767 . . . . 0.0 109.725 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.26 147.21 24.25 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -28.12 69.64 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.093 0.557 . . . . 0.0 109.709 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -40.25 95.69 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 68.2 mt-10 -70.24 -33.1 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.368 0.667 . . . . 0.0 110.723 176.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -57.76 -38.88 76.17 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.009 0.924 . . . . 0.0 111.305 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.17 -20.98 65.81 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.133 0.573 . . . . 0.0 112.128 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -96.01 -13.48 23.74 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.081 0.952 . . . . 0.0 111.674 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 95.2 mt -81.06 88.23 5.98 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -88.71 -29.04 20.15 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.155 0.582 . . . . 0.0 109.607 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.45 173.95 11.01 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.49 0.662 . . . . 0.0 111.832 -176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 22' ' ' LEU . 58.8 t -60.68 -31.9 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.899 1.28 . . . . 0.0 110.745 168.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.73 90.06 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.56 0.538 . . . . 0.0 112.085 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.3 -43.6 81.32 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 110.255 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.276 0.36 . . . . 0.0 110.31 171.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.02 -38.56 86.52 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.944 0.898 . . . . 0.0 110.559 -176.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.7 t70 -66.02 -51.93 53.87 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.45 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 3.9 mm? -67.95 -49.54 61.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.147 0.579 . . . . 0.0 111.879 -174.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 68' ' ' LEU . 95.0 t -50.03 -45.18 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.731 1.213 . . . . 0.0 110.835 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.1 t70 -70.5 -30.22 66.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.154 0.582 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 43.8 mmtm -65.04 -37.57 88.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 70.8 mmtt -72.23 -39.65 68.34 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.267 0.627 . . . . 0.0 109.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 73' ' ' ASP . 70.5 mt -61.32 -36.4 80.02 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.084 0.954 . . . . 0.0 110.661 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.11 72.39 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.393 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.6 mmt180 -72.11 -25.83 61.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.925 0.49 . . . . 0.0 110.472 173.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm . . . . . 0 N--CA 1.484 1.237 0 C-N-CA 123.521 0.728 . . . . 0.0 112.429 178.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 CA--C 1.544 1.013 0 CA-C-O 120.85 0.271 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.651 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 21.9 p -62.98 -72.31 0.14 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.888 0.875 . . . . 0.0 111.281 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.13 -29.26 43.07 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.94 0.496 . . . . 0.0 110.826 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -57.03 -51.53 68.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.197 0.999 . . . . 0.0 111.616 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.2 75.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.355 0.662 . . . . 0.0 111.645 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 72' ' ' VAL . 69.2 mt -73.7 -34.09 64.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.19 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.447 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 45.9 m -49.75 -52.9 47.22 Favored Pre-proline 0 CA--C 1.571 1.773 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -174.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.447 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 31.8 Cg_exo -62.88 -31.31 77.7 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 122.37 2.047 . . . . 0.0 112.923 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mm -69.17 -44.82 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.402 0.681 . . . . 0.0 110.236 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.05 -49.72 59.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.393 0.677 . . . . 0.0 110.505 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.08 -21.63 66.6 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.402 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -80.64 -56.89 3.85 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.022 0.529 . . . . 0.0 110.796 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.54 -52.32 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.244 1.018 . . . . 0.0 111.566 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -82.37 -12.21 58.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.206 0.602 . . . . 0.0 111.252 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 64.08 32.42 12.8 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.215 1.007 . . . . 0.0 110.466 172.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.04 118.38 14.64 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.037 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.89 -16.28 55.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.768 0.827 . . . . 0.0 111.581 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 m -66.39 -17.52 64.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.03 0.532 . . . . 0.0 111.251 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.15 112.88 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.298 1.039 . . . . 0.0 110.896 173.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.48 112.11 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.606 HD22 HG11 ' A' ' 65' ' ' VAL . 90.1 mt -80.27 140.69 36.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.499 0.72 . . . . 0.0 112.138 -168.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -129.51 177.43 7.21 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.646 1.178 . . . . 0.0 108.167 170.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 94.7 mtt180 -68.82 -12.69 61.79 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.296 0.638 . . . . 0.0 111.912 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -119.63 -3.15 10.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.001 0.921 . . . . 0.0 112.488 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -64.87 142.62 58.37 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 169.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -161.05 -170.22 2.62 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.613 0.642 . . . . 0.0 111.28 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.05 -27.61 54.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.437 1.095 . . . . 0.0 112.948 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.7 -36.85 83.48 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.421 1.089 . . . . 0.0 111.961 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -85.16 -15.5 43.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.56 0.744 . . . . 0.0 112.986 -170.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -120.08 110.63 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.536 0.734 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.52 -4.06 37.67 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -79.1 80.8 5.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.521 0.728 . . . . 0.0 110.478 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.15 173.68 9.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.935 0.494 . . . . 0.0 111.219 164.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -37.74 77.91 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.335 170.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.15 -45.59 91.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.601 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -68.38 -35.06 77.14 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.237 1.015 . . . . 0.0 110.881 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -60.25 -44.29 95.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.517 1.127 . . . . 0.0 110.133 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.7 mmm -68.6 -38.08 80.34 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.993 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -58.86 -42.1 88.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 123.345 0.403 . . . . 0.0 110.461 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -51.35 66.24 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 110.71 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.93 -45.76 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.857 -176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.4 -27.94 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 118.112 0.415 . . . . 0.0 111.889 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.18 -44.28 92.5 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.888 0.475 . . . . 0.0 110.726 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.15 -35.14 80.15 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.666 0.386 . . . . 0.0 111.652 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.3 mm-40 -58.76 -58.41 8.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.057 0.943 . . . . 0.0 110.852 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.55 -38.47 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.088 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -62.47 -61.52 2.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.433 0.693 . . . . 0.0 111.956 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -93.3 -0.18 56.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.581 0.752 . . . . 0.0 112.132 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.29 34.31 18.63 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.282 1.033 . . . . 0.0 110.839 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.4 pt -106.32 177.53 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.585 0.754 . . . . 0.0 110.189 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -141.98 107.33 5.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -83.45 132.71 34.95 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.64 143.28 26.94 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 3.0 tm? -57.28 -35.97 70.45 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.505 0.722 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.93 -39.92 97.65 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.605 0.565 . . . . 0.0 112.446 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 50.4 mt-10 -64.39 -38.66 91.82 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.34 0.656 . . . . 0.0 110.264 175.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.04 -33.38 75.66 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.147 0.579 . . . . 0.0 111.394 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.2 mm-40 -69.14 -24.09 64.04 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.114 0.566 . . . . 0.0 111.573 172.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -85.95 -1.86 57.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 40.4 mt -103.81 115.74 31.03 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -101.53 -29.99 11.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.048 0.539 . . . . 0.0 109.652 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -130.91 168.88 16.58 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.616 0.722 . . . . 0.0 110.765 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.606 HG11 HD22 ' A' ' 22' ' ' LEU . 59.3 t -60.53 -29.65 45.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.27 170.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 24' ' ' ARG . . . -67.59 -37.97 89.95 Favored Glycine 0 C--N 1.347 1.175 0 O-C-N 123.487 0.492 . . . . 0.0 112.536 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.91 -47.79 73.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.136 0.574 . . . . 0.0 109.701 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 72' ' ' VAL . 59.4 tp -60.63 -35.53 76.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.857 0.863 . . . . 0.0 111.232 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.651 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -69.68 -44.1 71.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.716 1.206 . . . . 0.0 110.593 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.8 t70 -58.67 -41.65 86.65 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.225 173.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -42.98 71.43 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.373 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 7' ' ' LEU . 89.6 t -58.63 -41.37 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.279 0.632 . . . . 0.0 110.284 173.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' HB2' HG22 ' A' ' 3' ' ' THR . 23.1 t70 -62.3 -36.11 81.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.131 0.972 . . . . 0.0 111.313 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 30.1 mmtm -66.82 -39.31 87.63 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.39 -42.91 78.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.233 0.613 . . . . 0.0 110.784 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.37 -28.63 68.11 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.317 0.647 . . . . 0.0 110.491 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.167 0.587 . . . . 0.0 110.806 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.2 mmm180 -75.35 -16.52 60.38 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.127 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 123.233 0.613 . . . . 0.0 110.717 171.845 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 5' ' ' ASP . 42.3 Cg_endo . . . . . 0 CA--C 1.548 1.218 0 CA-C-O 120.827 0.261 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 18.9 p -70.52 -76.8 0.1 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.427 0.691 . . . . 0.0 111.463 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.46 -28.95 33.93 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 23.1 t70 -51.76 -62.19 1.78 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.493 1.517 . . . . 0.0 111.995 -176.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . -77.24 -26.68 52.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.161 -173.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 72' ' ' VAL . 52.4 mt -67.48 -32.9 74.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.576 0.35 . . . . 0.0 111.49 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -57.76 -48.4 97.25 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.033 -0.984 . . . . 0.0 113.11 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 6' ' ' ALA . 77.3 Cg_exo -54.13 -41.18 77.85 Favored 'Trans proline' 0 C--N 1.404 3.455 0 C-N-CA 122.976 2.451 . . . . 0.0 113.429 171.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.3 -54.22 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.161 0.584 . . . . 0.0 110.369 -176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.9 -44.8 84.17 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.717 0.807 . . . . 0.0 110.421 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.36 -31.9 70.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.668 0.387 . . . . 0.0 111.734 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -76.85 -55.57 5.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 117.798 0.272 . . . . 0.0 111.175 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -54.58 -48.24 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.817 0.847 . . . . 0.0 111.595 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -83.95 -18.77 36.19 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.76 81.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.401 1.08 . . . . 0.0 109.271 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.86 172.14 15.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.382 -168.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -138.53 -19.45 1.07 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.099 0.96 . . . . 0.0 110.668 -176.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 m -83.62 -9.46 58.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.274 1.03 . . . . 0.0 112.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.78 103.19 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-O 121.281 0.563 . . . . 0.0 110.308 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.1 85.45 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.02 135.75 56.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.477 -1.238 . . . . 0.0 113.183 -168.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -118.72 179.59 4.09 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -68.41 -43.28 77.58 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.16 -4.35 50.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 m -60.15 141.21 56.27 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 79.9 p -166.1 179.72 5.6 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.35 0.66 . . . . 0.0 109.749 -172.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.71 53.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.348 0.659 . . . . 0.0 111.79 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.53 -42.03 17.28 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 168.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . 33.8 t70 -78.24 -17.69 56.37 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.688 1.195 . . . . 0.0 111.13 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 mt -121.7 108.37 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.99 -31.73 69.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.623 0.769 . . . . 0.0 111.077 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.45 -2.97 57.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.479 0.712 . . . . 0.0 112.278 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -82.96 76.03 9.82 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.36 167.99 0.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.388 1.475 . . . . 0.0 111.467 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -44.61 95.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.625 0.77 . . . . 0.0 109.625 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.0 -11.4 59.57 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.862 0.865 . . . . 0.0 111.759 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.2 m -66.05 -33.51 75.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -55.59 -40.59 72.21 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 123.842 0.713 . . . . 0.0 111.599 169.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.54 -32.58 70.46 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.083 0.401 . . . . 0.0 111.077 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -69.16 -36.49 77.43 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.493 0.717 . . . . 0.0 110.722 173.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.0 mm? -64.03 -52.91 57.21 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.13 0.572 . . . . 0.0 110.219 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -57.31 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.345 1.058 . . . . 0.0 110.338 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.4 -36.17 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 123.592 0.557 . . . . 0.0 111.741 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -65.77 -46.59 78.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.879 0.471 . . . . 0.0 111.262 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 80.0 mt -65.89 -40.41 91.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.978 0.418 . . . . 0.0 110.586 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.37 -53.04 62.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.704 0.802 . . . . 0.0 111.673 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.49 -41.9 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -66.18 -49.56 66.91 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.33 0.652 . . . . 0.0 111.466 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB3' HD21 ' A' ' 76' ' ' LEU . 75.1 m-85 -86.26 -11.96 50.89 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.261 0.625 . . . . 0.0 112.098 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.81 26.18 11.24 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 19.7 pt -95.72 174.74 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.231 0.612 . . . . 0.0 110.104 -172.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.94 110.27 7.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 2.1 p90 -128.25 156.95 42.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.583 0.753 . . . . 0.0 110.347 167.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.78 143.25 31.16 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.266 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.43 -26.67 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.87 -176.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.14 -42.43 95.2 Favored Glycine 0 CA--C 1.537 1.446 0 O-C-N 123.033 0.208 . . . . 0.0 112.842 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.551 0.74 . . . . 0.0 110.24 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.793 HD13 HD12 ' A' ' 62' ' ' LEU . 3.2 mm? -65.58 -34.81 79.1 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.727 0.811 . . . . 0.0 112.083 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -61.85 -24.57 66.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.131 0.573 . . . . 0.0 112.192 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.95 -11.97 42.9 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.663 0.785 . . . . 0.0 111.602 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 59' ' ' LEU . 38.1 mt -88.34 98.27 11.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -23.28 26.6 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.554 1.142 . . . . 0.0 110.805 -171.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.44 174.79 13.92 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.573 0.349 . . . . 0.0 110.986 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 88.5 t -73.13 -10.71 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.334 1.054 . . . . 0.0 110.754 -175.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.42 -39.36 87.36 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.578 ' HB3' HD22 ' A' ' 62' ' ' LEU . 61.2 m-20 -66.41 -43.32 86.05 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 123.042 0.537 . . . . 0.0 109.87 172.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.0 mm? -63.66 -38.61 91.75 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.152 0.581 . . . . 0.0 111.775 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.03 -52.46 64.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.058 0.543 . . . . 0.0 109.84 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 29.5 t70 -59.83 -51.62 68.95 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.145 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.648 ' HG ' HD11 ' A' ' 62' ' ' LEU . 1.9 tm? -56.32 -59.05 5.52 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.163 1.385 . . . . 0.0 111.905 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 77.6 t -57.96 -37.58 61.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.878 0.871 . . . . 0.0 110.504 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.38 -36.8 79.7 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.125 0.57 . . . . 0.0 111.591 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 2.5 mmmp? -63.49 -41.0 98.56 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.71 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 73.1 mmtt -70.3 -38.46 74.97 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.536 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 50' ' ' TYR . 69.8 mt -69.21 -29.44 67.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.65 0.78 . . . . 0.0 111.321 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.26 81.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.159 0.584 . . . . 0.0 110.019 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -69.91 -24.85 63.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.258 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 123.253 0.621 . . . . 0.0 112.058 178.429 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--O 1.214 -0.701 0 N-CA-C 111.461 -0.246 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 73' ' ' ASP . 68.7 p -64.36 -75.85 0.08 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.746 0.819 . . . . 0.0 113.1 -163.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.31 -38.24 86.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.576 0.75 . . . . 0.0 109.86 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.0 -50.5 72.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.58 1.175 . . . . 0.0 111.526 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.54 79.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.522 0.729 . . . . 0.0 110.842 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 72' ' ' VAL . 93.7 mt -66.96 -35.34 79.74 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.379 0.672 . . . . 0.0 110.998 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -53.6 -50.49 82.98 Favored Pre-proline 0 CA--C 1.576 1.961 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -171.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.34 -29.45 72.5 Favored 'Trans proline' 0 C--N 1.396 3.028 0 C-N-CA 122.426 2.084 . . . . 0.0 112.666 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.79 -46.4 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.312 0.645 . . . . 0.0 110.11 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -71.45 -45.12 63.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 0.0 110.005 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.69 -32.59 69.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.048 0.539 . . . . 0.0 112.01 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.26 -60.67 2.56 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.629 0.772 . . . . 0.0 110.289 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 42' ' ' LEU . 54.0 t -59.63 -47.88 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.834 1.254 . . . . 0.0 112.3 -171.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -88.23 -8.4 55.32 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.814 0.445 . . . . 0.0 111.43 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.19 52.39 2.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.554 1.141 . . . . 0.0 110.376 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -154.25 116.54 4.31 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.266 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.38 -11.34 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.892 0.877 . . . . 0.0 111.697 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m -82.42 -7.65 59.63 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.113 -0.367 . . . . 0.0 111.847 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.99 118.55 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.342 0.657 . . . . 0.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.69 97.25 4.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 65' ' ' VAL . 74.9 mt -62.78 128.58 36.59 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.803 0.69 . . . . 0.0 111.891 -172.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -112.31 161.11 17.0 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -57.28 -46.58 82.99 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.627 0.371 . . . . 0.0 110.385 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.51 11.56 8.48 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 65' ' ' VAL . 92.4 m -65.07 96.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.147 0.43 . . . . 0.0 110.88 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.6 p -105.08 -175.95 2.94 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.011 0.524 . . . . 0.0 110.406 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.19 -13.05 15.23 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.757 0.823 . . . . 0.0 112.754 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -86.05 -34.67 20.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 0.0 110.565 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -77.98 -24.79 47.91 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.112 0.565 . . . . 0.0 111.087 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.25 108.06 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.41 -36.78 85.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.086 0.555 . . . . 0.0 111.222 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.99 -5.64 42.56 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.637 0.775 . . . . 0.0 112.643 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -85.08 67.51 10.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.54 0.736 . . . . 0.0 110.058 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.86 171.65 13.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.475 0.71 . . . . 0.0 109.663 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.7 m -52.89 -36.28 59.12 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.69 -33.16 60.34 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.613 0.365 . . . . 0.0 111.043 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -69.24 -31.26 69.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.079 0.552 . . . . 0.0 111.177 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.411 ' O ' HD13 ' A' ' 43' ' ' ILE . 54.1 m80 -56.72 -42.55 79.41 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.18 0.592 . . . . 0.0 110.809 170.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -62.54 -45.7 91.76 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.714 0.406 . . . . 0.0 110.845 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.5 -39.49 93.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.725 0.81 . . . . 0.0 111.05 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -60.45 -49.23 78.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.084 0.954 . . . . 0.0 110.783 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.5 mp -64.35 -53.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.526 -177.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.98 -29.04 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -64.93 -45.89 83.92 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.29 0.636 . . . . 0.0 111.208 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.52 -40.9 98.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.508 0.323 . . . . 0.0 111.463 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.8 mm-40 -60.0 -53.0 63.0 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.938 0.895 . . . . 0.0 111.477 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.43 -42.61 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -65.01 -51.46 61.51 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.258 0.623 . . . . 0.0 112.18 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -96.91 -1.85 44.98 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 58.15 33.75 23.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.236 1.014 . . . . 0.0 110.999 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.2 pt -98.27 175.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.427 0.691 . . . . 0.0 109.514 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -145.25 109.6 4.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.307 0.643 . . . . 0.0 110.192 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -81.75 134.11 35.41 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.38 136.18 33.17 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 167.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.83 -33.52 61.77 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.36 1.064 . . . . 0.0 111.958 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.39 -46.97 93.29 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.41 0.444 . . . . 0.0 113.003 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.39 -38.12 89.92 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.869 0.868 . . . . 0.0 110.195 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -67.44 -37.75 83.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.998 1.319 . . . . 0.0 111.605 -170.244 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.16 -19.14 62.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.8 -8.3 58.87 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.096 0.558 . . . . 0.0 110.963 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 ' HG ' ' A' ' 71' ' ' LEU . 25.0 mt -84.57 91.62 7.93 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -77.74 -27.64 50.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 110.661 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 64' ' ' ASN . 0.0 OUTLIER -159.65 -179.37 7.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 -176.25 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 22' ' ' LEU . 91.8 t -67.6 -19.8 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 124.668 1.187 . . . . 0.0 110.897 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.76 -40.92 98.98 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 62' ' ' LEU . 34.8 m-20 -69.51 -41.87 75.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.085 0.554 . . . . 0.0 110.831 174.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.98 -37.19 81.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.187 0.449 . . . . 0.0 110.836 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -56.29 23.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.407 0.683 . . . . 0.0 110.019 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.5 m-20 -61.34 -47.82 84.13 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.86 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.581 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -69.12 -48.85 61.38 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.652 0.781 . . . . 0.0 111.798 -169.135 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.2 t -58.27 -38.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 122.95 0.5 . . . . 0.0 110.21 174.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' THR . 16.8 t70 -70.86 -31.0 67.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.123 0.569 . . . . 0.0 111.048 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.4 mmmt -65.84 -35.67 81.33 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.3 mmtt -69.69 -39.49 76.93 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.445 0.698 . . . . 0.0 110.214 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 93.1 mt -68.54 -28.73 67.24 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.644 0.778 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.633 0.773 . . . . 0.0 110.159 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.1 mmm-85 -73.98 -14.46 61.03 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.199 173.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.5 mmtt . . . . . 0 C--N 1.353 0.755 0 C-N-CA 122.508 0.323 . . . . 0.0 110.249 171.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.772 0.32 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -94.35 33.88 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.755 2.97 . . . . 0.0 111.883 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -76.94 -57.05 4.07 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.277 -164.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.67 -40.21 53.04 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 119.127 0.876 . . . . 0.0 111.619 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.97 -53.79 51.14 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.239 1.016 . . . . 0.0 111.268 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.54 65.86 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.022 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.61 -28.23 26.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.626 0.771 . . . . 0.0 111.742 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -55.83 -47.34 98.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.944 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.78 -33.6 96.16 Favored 'Trans proline' 0 C--N 1.387 2.598 0 C-N-CA 121.98 1.786 . . . . 0.0 112.837 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.8 mm -68.07 -49.82 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.11 0.564 . . . . 0.0 110.455 -177.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.47 -38.49 77.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -61.74 -31.59 71.77 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.821 0.449 . . . . 0.0 111.1 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -75.78 -53.67 8.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.451 0.3 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.7 t -56.63 -53.92 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.38 -1.72 57.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.668 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.98 75.05 0.23 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.194 1.397 . . . . 0.0 111.572 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.38 168.64 26.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.69 -171.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -127.14 -26.97 3.03 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.16 0.984 . . . . 0.0 110.303 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -86.13 -15.56 40.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.026 0.93 . . . . 0.0 112.135 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.21 111.98 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.3 125.71 74.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -80.03 135.17 36.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.497 0.665 . . . . 0.0 111.628 -174.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.18 163.97 27.36 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -67.73 -15.53 63.68 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.02 -15.84 20.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.63 0.772 . . . . 0.0 111.779 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -65.32 129.74 40.82 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.69 0.396 . . . . 0.0 110.313 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 p -132.27 -176.29 4.03 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.876 0.87 . . . . 0.0 109.683 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' H ' H422 ' A' ' 88' ' ' PNS . . . -59.78 -32.78 70.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.293 0.637 . . . . 0.0 111.592 172.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -66.65 -26.23 66.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.153 0.581 . . . . 0.0 111.328 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.48 -21.55 41.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.238 0.615 . . . . 0.0 111.667 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.55 94.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.16 0.584 . . . . 0.0 110.134 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.48 94.04 1.24 Allowed 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 159.55 -41.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.493 1.917 . . . . 0.0 107.846 -166.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.733 ' HE1' ' CD2' ' A' ' 39' ' ' HIS . 3.6 t90 -77.25 115.55 17.12 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.119 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.2 p-10 -135.82 -170.82 2.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.4 m -51.47 -51.84 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.722 1.209 . . . . 0.0 112.571 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -44.03 93.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.472 0.709 . . . . 0.0 110.336 -176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 58.3 m -73.28 -26.98 61.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.953 0.501 . . . . 0.0 111.899 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.733 ' CD2' ' HE1' ' A' ' 34' ' ' TRP . 8.9 t-80 -68.52 -40.9 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.411 1.085 . . . . 0.0 110.28 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.3 mmm -68.4 -38.19 81.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.925 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -60.61 -39.95 90.05 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.429 0.692 . . . . 0.0 110.392 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.33 -51.19 64.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.905 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.66 -43.48 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.498 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.55 -26.83 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.743 0.701 . . . . 0.0 111.776 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 m -65.26 -40.33 93.81 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.954 0.502 . . . . 0.0 110.569 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.05 -34.33 73.09 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.352 0.261 . . . . 0.0 110.747 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 62.8 mm-40 -60.77 -49.54 77.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.227 1.011 . . . . 0.0 110.881 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -76.7 -46.81 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -68.03 -57.59 5.9 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.548 0.739 . . . . 0.0 112.459 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.96 -5.84 49.81 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.752 0.421 . . . . 0.0 111.493 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 66.57 19.79 10.83 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.6 1.16 . . . . 0.0 111.797 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.9 pt -100.28 142.33 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.992 0.517 . . . . 0.0 110.558 -168.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -102.57 125.66 49.38 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.317 1.047 . . . . 0.0 110.861 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.63 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 98.2 m-85 -108.4 134.83 50.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.599 0.76 . . . . 0.0 109.261 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 146.56 24.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.3 tm? -60.58 -27.94 68.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.384 0.673 . . . . 0.0 110.3 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.25 -34.97 90.12 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 123.298 0.373 . . . . 0.0 112.708 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.5 mt-10 -79.97 -28.03 39.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.647 0.779 . . . . 0.0 110.584 176.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 62' ' ' LEU . 3.8 mm? -62.96 -35.22 79.41 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.503 0.721 . . . . 0.0 110.289 171.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.6 mm-40 -57.68 -24.67 57.9 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.392 0.677 . . . . 0.0 111.612 170.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -96.84 -11.76 24.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.201 1.0 . . . . 0.0 112.029 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 68' ' ' LEU . 85.6 mt -90.71 78.75 6.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.156 0.582 . . . . 0.0 110.365 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HA ' H381 ' A' ' 88' ' ' PNS . 1.8 tmtp? -86.81 -33.36 19.9 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -133.63 170.52 15.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.389 0.676 . . . . 0.0 109.941 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.433 HG11 HD13 ' A' ' 22' ' ' LEU . 41.5 t -69.44 -17.3 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 124.54 1.136 . . . . 0.0 110.729 174.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.65 86.74 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.98 -37.67 86.56 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.303 0.641 . . . . 0.0 110.172 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 62' ' ' LEU . 4.3 mm? -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.307 0.379 . . . . 0.0 110.62 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.96 89.14 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.315 0.579 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 49.6 m-20 -64.41 -58.01 7.68 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.296 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.63 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.6 mm? -61.54 -55.46 30.64 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.45 1.094 . . . . 0.0 111.236 -170.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 79.1 t -48.7 -47.24 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.467 1.107 . . . . 0.0 110.647 175.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.92 -34.81 77.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 69.1 mmtt -68.27 -34.95 77.12 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 73.1 mmtt -72.89 -37.33 67.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 0.0 110.313 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.1 mt -67.93 -29.9 69.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.219 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.27 84.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.093 0.557 . . . . 0.0 109.726 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.1 mmm180 -71.71 -16.97 62.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.812 0.445 . . . . 0.0 110.862 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.8 mmtt -80.64 -25.89 38.05 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.11 0.564 . . . . 0.0 112.046 172.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.4 -33.07 70.95 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 169.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.85 110.14 3.19 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -62.01 81.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -161.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -142.01 82.52 1.8 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -104.2 121.74 43.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.298 0.639 . . . . 0.0 109.928 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -146.41 131.47 18.28 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -79.68 174.41 11.61 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.608 0.568 . . . . 0.0 111.954 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.726 1.21 . . . . 0.0 108.586 170.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.535 H422 ' H ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB2' HG23 ' A' ' 3' ' ' THR . 23.0 ptt? . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -93.36 44.28 0.29 Allowed 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 123.326 2.684 . . . . 0.0 111.052 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 73' ' ' ASP . 82.4 p -64.08 -77.04 0.06 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.025 0.53 . . . . 0.0 111.918 -169.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.94 -36.14 82.44 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.52 -50.01 68.85 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.344 1.458 . . . . 0.0 112.904 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.68 40.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.418 0.687 . . . . 0.0 110.611 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 HG21 ' A' ' 72' ' ' VAL . 96.8 mt -71.36 -35.04 70.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.54 0.336 . . . . 0.0 111.125 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.7 m -53.9 -51.29 78.21 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.929 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.22 -30.44 91.25 Favored 'Trans proline' 0 C--N 1.387 2.564 0 C-N-CA 122.318 2.012 . . . . 0.0 113.166 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.49 -47.38 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.663 0.385 . . . . 0.0 110.341 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.03 -40.27 78.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.291 0.636 . . . . 0.0 109.943 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.94 -33.87 65.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.542 0.737 . . . . 0.0 111.945 173.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -79.81 -56.2 4.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.041 0.537 . . . . 0.0 111.402 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.2 t -56.99 -55.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.514 1.125 . . . . 0.0 111.941 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -83.77 -15.77 47.24 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.28 80.88 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.36 1.064 . . . . 0.0 110.777 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -176.67 114.85 0.11 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.485 1.114 . . . . 0.0 109.048 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -77.72 -9.12 58.83 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.87 0.468 . . . . 0.0 111.525 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -82.41 -12.29 57.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.302 0.641 . . . . 0.0 111.336 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.47 117.83 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.648 0.779 . . . . 0.0 110.715 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.89 98.53 4.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 HG11 ' A' ' 65' ' ' VAL . 93.5 mt -66.33 143.53 57.12 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.623 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -128.09 -179.3 4.91 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -56.57 -55.56 32.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.116 0.566 . . . . 0.0 110.256 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.21 15.62 20.47 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.792 0.837 . . . . 0.0 112.035 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.3 m -65.17 140.44 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 159.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.549 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 99.7 p -166.42 -173.71 2.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.922 0.489 . . . . 0.0 110.278 -171.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -17.02 64.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -86.9 -37.75 17.36 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.256 0.622 . . . . 0.0 109.603 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.549 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.9 t70 -75.0 -18.47 60.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.551 0.741 . . . . 0.0 111.268 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -118.55 107.07 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.42 -38.29 90.59 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.781 0.832 . . . . 0.0 111.126 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -8.67 44.08 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.505 0.722 . . . . 0.0 112.843 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.447 ' HZ2' ' HD1' ' A' ' 39' ' ' HIS . 1.9 t-105 -74.33 111.51 9.57 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB2' ' A' ' 38' ' ' SER . 20.9 t70 -117.13 169.23 9.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.205 1.402 . . . . 0.0 108.084 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -49.23 -53.6 20.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.712 0.805 . . . . 0.0 112.031 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -33.1 74.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.06 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 17.5 m -68.03 -35.48 78.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.318 0.647 . . . . 0.0 110.343 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' HD1' ' HZ2' ' A' ' 34' ' ' TRP . 67.9 t60 -65.83 -41.44 91.78 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.937 0.895 . . . . 0.0 110.522 175.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -62.67 -41.62 99.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.44 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.6 -39.58 91.73 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.988 0.805 . . . . 0.0 110.493 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -63.93 -51.51 64.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.412 0.685 . . . . 0.0 111.037 -177.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.38 -48.5 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.404 0.682 . . . . 0.0 110.435 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.58 -27.56 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -66.57 -39.65 88.59 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.513 0.508 . . . . 0.0 110.871 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.85 -36.16 77.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 7.3 mm-40 -64.84 -46.97 79.68 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.783 0.833 . . . . 0.0 111.267 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.98 -44.58 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -63.2 -59.15 5.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.916 0.486 . . . . 0.0 111.423 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -88.78 0.58 56.38 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.943 0.497 . . . . 0.0 111.12 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.293 0.0 OUTLIER 40.23 57.17 2.49 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.536 1.534 . . . . 0.0 112.596 -175.418 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 pt -115.62 -176.73 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.888 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -139.48 109.89 6.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.75 0.42 . . . . 0.0 110.827 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -86.7 139.88 30.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.278 0.631 . . . . 0.0 109.504 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.63 17.87 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -57.48 -37.04 72.27 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.513 0.725 . . . . 0.0 110.658 178.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.21 90.32 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 123.696 0.623 . . . . 0.0 112.988 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 71' ' ' LEU . 46.6 mt-10 -79.21 -20.59 47.92 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.067 0.947 . . . . 0.0 111.53 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 56' ' ' LEU . 73.8 mt -77.01 -31.38 56.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.862 0.465 . . . . 0.0 109.776 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -67.57 -18.98 65.2 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.245 0.618 . . . . 0.0 111.423 171.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.16 -13.86 59.46 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.834 0.454 . . . . 0.0 110.915 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 68' ' ' LEU . 68.1 mt -92.84 88.81 6.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.142 0.577 . . . . 0.0 110.141 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HD2' HD22 ' A' ' 64' ' ' ASN . 1.3 tmtp? -85.5 -37.5 19.63 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 172.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.463 HD22 ' HD2' ' A' ' 63' ' ' LYS . 6.1 p30 -142.41 174.64 10.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 22' ' ' LEU . 45.1 t -72.39 -17.38 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.62 1.168 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.1 90.64 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 168.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -71.2 -35.58 71.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.167 0.587 . . . . 0.0 110.591 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 62' ' ' LEU . 3.8 mm? -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 169.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.05 87.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.073 0.549 . . . . 0.0 110.081 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 39.7 m-20 -64.87 -51.62 61.03 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.714 175.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.73 -52.51 60.17 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.111 0.964 . . . . 0.0 110.662 -169.062 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 7' ' ' LEU . 79.4 t -61.33 -35.9 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.815 0.846 . . . . 0.0 110.865 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.512 ' HB2' HG22 ' A' ' 3' ' ' THR . 19.7 t70 -69.62 -27.93 65.49 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.499 0.32 . . . . 0.0 111.238 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.5 mmmm -73.42 -28.26 61.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.704 0.402 . . . . 0.0 110.018 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 73.6 mmtt -74.99 -35.96 62.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.08 0.552 . . . . 0.0 109.978 172.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.4 mt -73.62 -20.23 60.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.397 0.679 . . . . 0.0 109.986 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.79 76.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.003 0.521 . . . . 0.0 109.877 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 36.2 mmt180 -69.1 -29.99 68.2 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.437 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 32.3 mmtp -84.04 -49.36 8.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.774 0.43 . . . . 0.0 110.768 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 6.06 6.86 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.978 0.911 . . . . 0.0 110.872 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.56 106.5 0.35 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 162.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -127.34 84.55 2.27 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.507 1.123 . . . . 0.0 108.081 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -99.72 130.98 45.98 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 109.319 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -170.53 -55.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -65.75 128.02 34.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.13 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 67.51 -69.2 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.106 1.362 . . . . 0.0 110.886 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 169.845 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.53 ' S44' ' HA ' ' A' ' 27' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -94.22 20.35 0.66 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.438 2.759 . . . . 0.0 112.545 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 40.7 p -68.48 -63.26 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 124.118 0.967 . . . . 0.0 113.16 -163.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -50.68 -41.37 55.67 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.565 0.746 . . . . 0.0 111.344 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.55 -48.93 68.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.029 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.1 73.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.449 0.7 . . . . 0.0 111.793 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 3' ' ' THR . 87.2 mt -80.76 -19.15 45.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.548 0.739 . . . . 0.0 110.426 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 32.6 m -55.56 -53.94 56.88 Favored Pre-proline 0 CA--C 1.57 1.732 0 CA-C-O 117.747 -1.12 . . . . 0.0 111.966 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 33.6 Cg_exo -61.0 -30.32 89.62 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 122.42 2.08 . . . . 0.0 113.156 175.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.35 -58.39 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.322 0.649 . . . . 0.0 110.374 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.26 -42.55 93.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.292 0.637 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.14 -36.41 70.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.905 0.482 . . . . 0.0 111.87 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -76.45 -51.97 10.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 122.318 -0.239 . . . . 0.0 111.154 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 42' ' ' LEU . 53.9 t -53.77 -55.02 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.454 1.102 . . . . 0.0 112.123 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -80.34 -15.49 56.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.022 0.529 . . . . 0.0 111.317 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.12 74.84 0.42 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 124.705 1.202 . . . . 0.0 108.983 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -163.84 -175.53 4.13 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.667 -167.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.36 -28.6 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.845 0.858 . . . . 0.0 109.717 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 m -75.63 -14.4 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.709 0.804 . . . . 0.0 112.147 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.69 117.55 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.345 0.658 . . . . 0.0 109.833 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.22 109.79 27.68 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.17 128.32 35.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.666 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -126.73 165.95 18.3 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -31.75 68.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 122.759 0.424 . . . . 0.0 111.853 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.54 -17.65 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 65' ' ' VAL . 61.2 m -61.5 116.44 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.983 0.513 . . . . 0.0 111.77 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.4 p -126.22 -175.41 3.36 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.487 0.715 . . . . 0.0 109.711 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.11 63.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -78.61 -24.96 45.1 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.071 0.396 . . . . 0.0 110.866 177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.8 -19.63 48.08 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.724 0.81 . . . . 0.0 111.268 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.92 109.07 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.62 -29.42 70.61 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.305 1.042 . . . . 0.0 111.527 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.63 -19.36 61.46 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -80.98 114.05 19.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.589 0.755 . . . . 0.0 110.354 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.42 176.87 5.66 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.178 1.391 . . . . 0.0 108.68 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -56.98 -34.0 67.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.46 0.704 . . . . 0.0 110.569 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -42.99 93.13 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.28 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 m -66.57 -29.59 69.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.657 0.383 . . . . 0.0 110.666 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.722 ' CE1' H312 ' A' ' 88' ' ' PNS . 42.5 m80 -62.74 -44.1 97.08 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.71 0.631 . . . . 0.0 110.791 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.3 -42.04 76.91 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 120.849 0.357 . . . . 0.0 110.643 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -68.39 -35.27 77.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.281 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -58.87 -58.98 6.24 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.502 0.721 . . . . 0.0 110.628 176.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.05 -52.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.224 0.953 . . . . 0.0 110.366 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.29 -31.23 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 m -67.86 -43.72 78.78 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.786 0.434 . . . . 0.0 110.673 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.3 mt -66.86 -32.98 74.61 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.24 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 13.8 mm-40 -65.33 -57.63 7.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.152 0.981 . . . . 0.0 110.306 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.84 -38.01 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -171.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -72.78 -54.9 7.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.858 0.463 . . . . 0.0 112.11 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 52' ' ' ILE . 80.2 m-85 -86.71 -17.19 34.27 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.39 48.31 19.35 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.528 1.131 . . . . 0.0 110.342 -171.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 50' ' ' TYR . 17.7 pt -117.23 -176.29 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.949 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -126.52 123.5 37.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.473 0.709 . . . . 0.0 109.923 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 71' ' ' LEU . 96.7 m-85 -117.76 131.59 56.57 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 167.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -98.41 138.55 35.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 2.9 tm? -60.12 -27.64 67.21 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.484 0.714 . . . . 0.0 109.753 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.31 95.36 Favored Glycine 0 C--N 1.354 1.537 0 O-C-N 123.449 0.468 . . . . 0.0 113.036 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 42.8 mt-10 -66.58 -37.39 84.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.373 0.669 . . . . 0.0 110.082 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.727 HD13 HD12 ' A' ' 62' ' ' LEU . 4.4 mm? -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.565 0.746 . . . . 0.0 111.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 23.8 mm-40 -62.91 -28.67 70.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.768 0.427 . . . . 0.0 111.051 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -81.03 -18.66 45.99 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.502 0.721 . . . . 0.0 110.57 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.727 HD12 HD13 ' A' ' 59' ' ' LEU . 30.2 mt -91.89 107.8 19.47 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.214 0.605 . . . . 0.0 110.173 -173.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' H381 ' A' ' 88' ' ' PNS . 87.2 tttt -83.92 -27.38 28.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.579 0.751 . . . . 0.0 111.734 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -159.8 -175.06 4.92 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 54.3 t -72.03 -13.11 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.483 1.113 . . . . 0.0 110.576 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.63 -36.59 48.13 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 169.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 62' ' ' LEU . 13.4 m-20 -69.97 -35.91 74.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.928 0.491 . . . . 0.0 110.261 171.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm? -65.79 -32.95 74.77 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.471 0.482 . . . . 0.0 110.174 169.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.71 88.1 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 55.0 m-20 -59.36 -58.2 9.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.262 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.525 1.13 . . . . 0.0 111.786 -164.352 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.416 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 95.8 t -60.74 -40.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.168 0.587 . . . . 0.0 110.558 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.92 -31.1 71.47 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.246 0.218 . . . . 0.0 111.004 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 70.3 mmtt -63.62 -43.69 96.12 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.65 0.594 . . . . 0.0 109.575 177.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -68.2 -46.84 69.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.334 0.654 . . . . 0.0 110.36 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.35 -23.71 64.72 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 0.0 111.206 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.39 -41.47 76.42 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.373 0.669 . . . . 0.0 110.965 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.7 mmt180 -73.76 -29.94 62.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.278 0.631 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -84.09 -70.73 0.55 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 54.33 -84.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.343 1.457 . . . . 0.0 109.752 -170.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 63.78 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.361 1.076 0 C-N-CA 124.732 1.213 . . . . 0.0 109.49 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -104.72 170.96 7.58 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.372 1.069 . . . . 0.0 109.493 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 86' ' ' HIS . 25.9 m170 -73.38 -27.18 61.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.072 0.549 . . . . 0.0 111.322 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 64.86 28.51 12.75 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.11 0.957 . . . . 0.0 109.438 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 72.31 -52.94 0.7 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.599 1.96 . . . . 0.0 111.05 -173.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 54.7 t-80 67.99 90.85 0.09 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.998 1.319 . . . . 0.0 111.556 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.362 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.722 H312 ' CE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.98 0 CA-C-O 120.938 0.399 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -96.17 33.02 0.15 Allowed 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 123.227 2.618 . . . . 0.0 110.787 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 m -61.54 -50.45 72.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.857 0.863 . . . . 0.0 112.284 -161.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.23 -53.16 61.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.426 0.69 . . . . 0.0 111.5 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.79 -29.11 63.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.698 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.46 71.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.241 0.616 . . . . 0.0 110.928 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.72 -28.87 62.92 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.543 0.737 . . . . 0.0 110.123 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -54.48 -48.31 95.3 Favored Pre-proline 0 CA--C 1.57 1.737 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -172.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.48 -26.3 76.3 Favored 'Trans proline' 0 C--N 1.394 2.952 0 C-N-CA 122.444 2.096 . . . . 0.0 113.436 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.62 -48.99 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-O 121.508 0.67 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.4 m-85 -70.25 -42.28 72.4 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.294 -175.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.527 HH21 HG22 ' A' ' 21' ' ' VAL . 96.6 mtt180 -58.56 -42.35 87.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 0.0 111.226 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.02 -49.03 79.46 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.003 0.815 . . . . 0.0 110.485 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -54.88 -52.72 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.171 0.988 . . . . 0.0 112.078 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.37 1.88 56.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -172.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 58.2 21.45 8.1 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.516 1.127 . . . . 0.0 111.036 -174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.77 172.87 6.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.93 0.892 . . . . 0.0 110.412 -169.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -144.0 -22.19 0.57 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.716 0.807 . . . . 0.0 110.871 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.9 m -76.49 -17.94 59.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.737 0.815 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 31' ' ' ILE . 64.6 mt -69.06 106.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HH21 ' A' ' 12' ' ' ARG . 77.1 t -118.23 111.76 35.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 65' ' ' VAL . 74.6 mt -73.11 140.13 46.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.762 0.791 . . . . 0.0 111.837 -171.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 172.17 13.07 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.541 -1.663 . . . . 0.0 106.882 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.07 -28.62 64.72 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 9.08 12.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.0 m -60.17 134.51 57.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 168.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.528 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 88.9 p -154.96 176.47 12.48 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.525 0.678 . . . . 0.0 111.296 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.75 -10.29 59.53 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.676 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -95.51 -32.42 12.87 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.677 0.791 . . . . 0.0 109.052 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.528 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.1 t70 -64.6 -26.71 68.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.955 1.302 . . . . 0.0 112.446 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.59 HD13 HG12 ' A' ' 20' ' ' ILE . 75.6 mt -125.89 126.04 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.454 0.702 . . . . 0.0 110.005 -172.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.25 -35.07 77.35 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.022 0.929 . . . . 0.0 111.567 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.73 -15.63 63.01 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.909 0.883 . . . . 0.0 112.448 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -89.65 123.75 33.97 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.52 0.728 . . . . 0.0 109.603 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.19 139.55 50.63 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.766 1.226 . . . . 0.0 110.505 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -36.09 -61.33 0.5 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.005 1.722 . . . . 0.0 114.014 170.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.72 -29.02 69.83 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.458 0.703 . . . . 0.0 112.062 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -74.1 -18.27 60.83 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.046 0.539 . . . . 0.0 111.904 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.4 m-70 -52.0 -36.16 49.05 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.301 171.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.7 mmm -61.51 -31.64 71.64 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -64.69 -35.63 81.65 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.641 0.588 . . . . 0.0 110.49 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.9 mm? -65.13 -54.71 25.66 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.738 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -51.46 -57.95 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 124.369 1.043 . . . . 0.0 110.313 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.78 -33.79 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.43 0.456 . . . . 0.0 112.014 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -70.34 -38.81 74.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.117 0.567 . . . . 0.0 111.643 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 50.4 mt -70.35 -36.94 74.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.956 0.502 . . . . 0.0 110.007 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 11.0 mm-40 -61.34 -52.1 66.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.366 1.066 . . . . 0.0 110.74 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.03 -43.33 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -67.74 -48.23 67.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.188 0.595 . . . . 0.0 111.2 -177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' C ' ' HZ2' ' A' ' 51' ' ' LYS . 96.1 m-85 -94.05 -5.2 48.01 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 60.73 27.13 16.89 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.595 1.158 . . . . 0.0 110.932 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 pt -100.53 177.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -148.04 106.43 3.77 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.702 0.287 . . . . 0.0 111.135 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.66 141.36 30.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.286 0.634 . . . . 0.0 109.574 172.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.66 159.87 15.65 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 162.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -62.13 -26.3 68.23 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.064 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.21 -33.86 88.39 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 120.251 -0.194 . . . . 0.0 112.908 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 5.1 mm-40 -69.17 -42.14 76.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.292 0.637 . . . . 0.0 109.543 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -54.23 -45.85 72.4 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.576 1.151 . . . . 0.0 111.498 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 19.1 mm-40 -55.02 -26.21 35.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.206 1.002 . . . . 0.0 112.768 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -97.49 -9.02 27.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.549 0.74 . . . . 0.0 111.951 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD12 HD13 ' A' ' 59' ' ' LEU . 75.2 mt -83.79 89.46 7.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.303 0.641 . . . . 0.0 109.452 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -87.92 -33.48 18.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.115 0.566 . . . . 0.0 110.391 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -141.13 176.17 9.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.162 0.985 . . . . 0.0 108.93 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 22' ' ' LEU . 61.2 t -69.58 -16.41 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 124.459 1.104 . . . . 0.0 111.263 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.98 90.61 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.12 -41.6 97.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.396 0.678 . . . . 0.0 110.629 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.74 -45.58 85.63 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.57 73.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.096 0.558 . . . . 0.0 110.99 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 14.6 t70 -66.0 -60.96 2.32 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.969 0.793 . . . . 0.0 110.462 174.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.86 -46.2 82.88 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.699 0.399 . . . . 0.0 112.008 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.94 -44.68 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.569 0.748 . . . . 0.0 110.099 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.97 -41.55 92.2 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.633 0.773 . . . . 0.0 112.19 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 39.2 mmtm -67.76 -39.13 84.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 123.652 0.595 . . . . 0.0 111.175 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.44 -26.28 38.46 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.683 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -18.65 42.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.555 0.742 . . . . 0.0 110.928 171.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.59 -34.66 72.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.982 0.513 . . . . 0.0 109.845 166.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -77.39 -27.93 52.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.801 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -85.08 -59.0 2.46 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.894 0.477 . . . . 0.0 110.836 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt 72.91 -6.17 1.74 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.485 1.914 . . . . 0.0 113.278 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 58.77 -84.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.845 1.258 . . . . 0.0 110.804 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -119.3 108.37 14.53 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -49.78 -56.88 8.66 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.729 1.268 . . . . 0.0 112.115 -169.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.9 m80 60.23 -156.67 0.34 Allowed 'General case' 0 CA--C 1.557 1.213 0 O-C-N 124.116 0.885 . . . . 0.0 110.066 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 72.6 -75.82 0.07 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.181 1.392 . . . . 0.0 110.185 173.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -143.14 -70.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.877 0.871 . . . . 0.0 109.802 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.11 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.472 H303 ' H36' ' A' ' 88' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -93.86 49.01 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.885 3.057 . . . . 0.0 110.944 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 57.1 p -63.66 -63.82 1.07 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.045 -171.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.463 HD11 ' HG2' ' A' ' 24' ' ' ARG . 87.8 mt -60.62 -39.77 89.41 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.528 0.731 . . . . 0.0 110.75 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.44 -41.77 76.99 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.106 0.962 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.25 -34.18 49.23 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 0.0 111.158 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 72' ' ' VAL . 93.2 mt -71.15 -32.9 69.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.089 0.556 . . . . 0.0 111.175 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -53.39 -54.75 41.87 Favored Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.512 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.04 -25.55 51.38 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 122.253 1.968 . . . . 0.0 113.19 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.4 mm -65.56 -52.28 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.768 0.427 . . . . 0.0 109.867 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.42 -40.57 96.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.34 -28.55 69.3 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.092 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -78.08 -53.31 7.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.989 0.515 . . . . 0.0 110.494 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' ' 42' ' ' LEU . 62.7 t -51.78 -56.28 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.724 1.21 . . . . 0.0 112.47 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.39 -12.42 56.5 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.634 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.76 64.6 1.14 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.779 1.232 . . . . 0.0 110.088 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -164.3 118.58 1.44 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -8.61 58.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.656 0.782 . . . . 0.0 110.604 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 m -79.5 -11.19 59.9 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.664 0.386 . . . . 0.0 111.561 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.85 117.72 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.287 0.635 . . . . 0.0 110.594 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.65 106.55 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD13 HG11 ' A' ' 65' ' ' VAL . 84.7 mt -77.05 141.83 40.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 111.528 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 p -122.73 177.03 5.63 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 164.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HG2' HD11 ' A' ' 4' ' ' LEU . 42.7 mtm180 -68.61 -45.86 70.82 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 122.144 -0.348 . . . . 0.0 110.837 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.09 5.95 8.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 97.9 m -63.32 95.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.855 0.862 . . . . 0.0 111.191 173.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -92.04 177.02 6.29 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -14.17 42.09 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.1 -30.8 55.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.889 0.876 . . . . 0.0 110.523 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.88 -31.2 69.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.963 0.905 . . . . 0.0 111.199 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.58 110.61 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -67.37 -26.44 66.47 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.271 0.628 . . . . 0.0 111.846 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.35 60.0 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.145 0.578 . . . . 0.0 112.357 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -82.89 70.99 9.99 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.387 0.675 . . . . 0.0 110.734 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.97 167.27 21.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.306 1.042 . . . . 0.0 109.74 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -52.89 -37.51 60.65 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.136 0.974 . . . . 0.0 111.98 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.06 -39.04 93.21 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 110.114 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -31.36 70.79 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.506 0.722 . . . . 0.0 110.997 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' HE1' H421 ' A' ' 88' ' ' PNS . 86.4 m-70 -60.98 -42.07 97.67 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.505 0.722 . . . . 0.0 110.839 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.2 mmm -61.49 -46.52 89.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.572 0.545 . . . . 0.0 110.61 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.66 -42.86 93.81 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.8 tm? -62.82 -48.39 79.27 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.657 1.183 . . . . 0.0 111.109 -177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 30.4 mm -69.85 -47.79 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.877 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.87 -24.96 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.115 0.416 . . . . 0.0 111.986 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -65.62 -46.33 79.71 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.606 168.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.0 -36.71 84.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.65 0.38 . . . . 0.0 110.943 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 8.9 mm-40 -62.16 -54.15 45.23 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.982 0.913 . . . . 0.0 110.369 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.01 -44.21 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -66.38 -54.56 22.97 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.149 0.579 . . . . 0.0 112.141 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -92.56 -4.92 52.7 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? 62.2 27.77 16.67 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.425 1.09 . . . . 0.0 111.172 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 pt -102.46 -176.38 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.453 0.701 . . . . 0.0 111.203 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -133.19 132.95 42.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.869 0.868 . . . . 0.0 110.286 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.47 ' HZ ' HG22 ' A' ' 72' ' ' VAL . 97.7 m-85 -128.23 142.6 51.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.302 0.641 . . . . 0.0 109.388 164.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.14 153.01 22.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.96 -28.77 68.54 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.3 94.6 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 123.306 0.379 . . . . 0.0 112.466 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.9 mt-10 -66.09 -40.62 90.93 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.133 0.573 . . . . 0.0 110.141 174.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 43' ' ' ILE . 4.5 mm? -58.45 -35.54 72.31 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.306 1.042 . . . . 0.0 112.34 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -69.68 -23.68 63.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.81 0.444 . . . . 0.0 111.397 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.42 -9.76 31.81 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 0.0 111.37 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD21 ' HG ' ' A' ' 71' ' ' LEU . 98.2 mt -88.43 102.66 15.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HA ' H381 ' A' ' 88' ' ' PNS . 12.8 tmtt? -89.68 -27.86 19.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.993 0.517 . . . . 0.0 110.035 -175.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -157.84 178.94 9.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.036 0.534 . . . . 0.0 111.982 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 HD13 ' A' ' 22' ' ' LEU . 41.9 t -68.02 -16.75 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.454 1.101 . . . . 0.0 111.315 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -38.02 56.97 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 34.2 m-20 -63.84 -41.33 97.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 169.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.3 mm? -63.78 -31.37 72.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.066 0.546 . . . . 0.0 111.718 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -51.17 67.43 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.664 0.665 . . . . 0.0 109.811 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 12.5 m-20 -65.69 -41.04 92.88 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.926 176.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.606 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.59 -55.05 9.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.269 0.628 . . . . 0.0 110.535 -170.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 7' ' ' LEU . 95.6 t -54.85 -37.14 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.667 0.787 . . . . 0.0 110.334 174.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.52 -40.55 97.11 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.252 0.621 . . . . 0.0 111.431 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.7 mmmm -64.43 -39.91 94.74 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.474 0.484 . . . . 0.0 109.702 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 71.5 mmtt -68.51 -45.84 71.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.849 0.86 . . . . 0.0 110.539 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.76 -36.72 85.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.671 0.788 . . . . 0.0 110.504 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.59 81.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.648 0.779 . . . . 0.0 110.97 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.27 -34.66 73.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.171 0.588 . . . . 0.0 111.238 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.6 mmtt -70.15 -17.39 63.18 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.688 0.795 . . . . 0.0 111.922 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.71 94.38 0.44 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 166.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.54 -49.13 77.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.862 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -167.12 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.867 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -157.29 143.79 18.06 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.98 0.512 . . . . 0.0 110.816 -174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -166.56 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -160.72 80.46 0.64 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.141 0.576 . . . . 0.0 109.992 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -157.07 142.45 17.34 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.337 1.455 . . . . 0.0 108.491 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 173.59 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.626 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 3' ' ' THR . 23.7 ptt? . . . . . 0 CA--C 1.555 1.141 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -96.17 44.78 0.14 Allowed 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.413 2.742 . . . . 0.0 111.558 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 31.3 p -62.03 -75.74 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.983 0.913 . . . . 0.0 112.731 -168.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.74 -30.03 71.18 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.815 0.446 . . . . 0.0 110.432 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -55.12 -42.83 73.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.906 0.882 . . . . 0.0 111.59 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.35 20.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.623 0.769 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.02 -39.39 66.02 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.715 0.406 . . . . 0.0 111.65 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -56.57 -50.17 89.34 Favored Pre-proline 0 N--CA 1.485 1.294 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.256 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.99 -27.31 74.24 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 121.779 1.653 . . . . 0.0 113.233 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -70.35 -41.79 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.49 -42.67 87.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.397 0.679 . . . . 0.0 110.363 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.99 -25.19 67.48 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.967 0.507 . . . . 0.0 111.475 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.4 -60.73 1.99 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.199 0.6 . . . . 0.0 111.234 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.21 -44.17 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 124.43 1.092 . . . . 0.0 111.534 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -90.39 -17.56 27.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.093 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.07 80.77 0.17 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.207 1.003 . . . . 0.0 110.841 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.43 108.91 0.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.2 -17.66 61.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.368 0.667 . . . . 0.0 111.891 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -79.24 -6.52 56.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.19 -0.319 . . . . 0.0 111.121 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.51 109.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 172.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.32 101.27 11.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 65' ' ' VAL . 83.6 mt -71.14 135.11 47.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.053 0.454 . . . . 0.0 111.871 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.2 p -130.22 157.5 42.32 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.0 -29.02 70.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.26 15.36 29.02 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -70.35 132.61 45.91 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 167.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -130.46 -175.01 3.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.577 0.626 . . . . 0.0 110.083 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.69 64.39 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.25 -36.89 61.23 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.32 -9.66 59.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.395 0.678 . . . . 0.0 111.518 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -125.84 106.25 15.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.53 -38.66 69.54 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.541 1.136 . . . . 0.0 112.914 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 12.37 22.5 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.242 0.617 . . . . 0.0 112.483 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -88.03 74.84 8.83 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.307 0.575 . . . . 0.0 109.513 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.32 162.68 24.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.187 0.995 . . . . 0.0 111.151 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -35.19 64.25 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.144 0.978 . . . . 0.0 110.922 173.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 37' ' ' LEU . 2.3 mm? -70.69 -35.97 73.06 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.249 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -65.75 -35.43 80.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.649 ' CE1' H312 ' A' ' 88' ' ' PNS . 59.1 m80 -54.55 -48.28 72.23 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 123.975 0.797 . . . . 0.0 110.978 170.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.1 mmm -59.37 -43.29 92.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.13 0.572 . . . . 0.0 111.259 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -67.84 -44.44 77.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.888 0.875 . . . . 0.0 111.383 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.59 -43.95 88.14 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.99 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.659 1.183 . . . . 0.0 110.846 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.93 -29.63 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 O-C-N 123.485 0.49 . . . . 0.0 111.457 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -61.1 -46.51 90.3 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.198 0.599 . . . . 0.0 110.796 173.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 52.0 mt -65.36 -42.14 93.1 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.8 -51.14 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.89 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.49 -40.82 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.14 -50.27 49.39 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 89.3 m-85 -82.88 -8.93 59.53 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.32 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 67.45 26.29 8.32 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.052 1.341 . . . . 0.0 111.205 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 pt -101.38 171.27 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.202 1.001 . . . . 0.0 110.412 -175.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -145.99 131.38 18.62 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.033 0.533 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -131.68 157.04 44.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.293 1.037 . . . . 0.0 110.134 174.568 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.34 156.8 17.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.11 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -25.59 65.8 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.45 0.7 . . . . 0.0 109.322 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.99 92.84 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 116.691 -0.231 . . . . 0.0 112.685 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 46.5 mt-10 -72.51 -28.65 63.01 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.325 0.65 . . . . 0.0 110.873 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.723 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -68.85 -30.4 68.92 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.705 0.802 . . . . 0.0 111.048 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.39 -22.34 61.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.585 0.354 . . . . 0.0 110.585 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.57 -5.48 58.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.527 0.731 . . . . 0.0 111.44 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 59' ' ' LEU . 25.8 mt -103.78 126.15 50.72 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -109.23 -26.09 10.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -135.07 173.87 11.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.421 0.688 . . . . 0.0 111.478 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 HD13 ' A' ' 22' ' ' LEU . 39.7 t -64.9 -31.6 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.871 1.269 . . . . 0.0 110.576 172.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.93 79.93 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.274 0.359 . . . . 0.0 112.278 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.98 -41.64 86.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.915 0.486 . . . . 0.0 109.746 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.35 -27.73 65.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.969 0.908 . . . . 0.0 111.429 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -73.46 -45.92 51.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.903 0.881 . . . . 0.0 108.969 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 16.4 t70 -60.85 -36.8 80.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.096 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 62' ' ' LEU . 2.6 tm? -63.65 -55.12 25.97 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.241 1.017 . . . . 0.0 109.973 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 84.6 t -59.28 -36.97 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 123.835 0.709 . . . . 0.0 109.67 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.58 -42.72 97.25 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.764 1.225 . . . . 0.0 111.587 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 42.9 mmtm -69.76 -33.97 73.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.758 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 74.3 mmtt -71.01 -40.98 71.48 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.733 0.813 . . . . 0.0 110.423 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 94.7 mt -64.47 -31.99 73.44 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.03 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 80' ' ' LEU . . . -69.12 -33.31 73.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.115 0.566 . . . . 0.0 110.783 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 29.6 mmt180 -64.42 -24.42 67.62 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.597 0.359 . . . . 0.0 110.329 173.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 62.9 mttm -91.75 -31.55 15.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.671 0.789 . . . . 0.0 110.991 175.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 76' ' ' LEU . 3.7 mm? -87.43 44.48 1.19 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.796 1.238 . . . . 0.0 109.602 -175.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.75 48.28 1.51 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.596 1.158 . . . . 0.0 109.92 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -88.01 69.07 9.34 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -76.38 82.18 3.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -78.47 9.09 4.25 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.258 1.023 . . . . 0.0 111.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 m80 69.04 27.51 5.34 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.821 1.248 . . . . 0.0 112.383 168.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -139.04 141.74 38.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.688 0.795 . . . . 0.0 109.306 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 . . . . . 0 CA--C 1.557 1.229 0 C-N-CA 124.788 1.235 . . . . 0.0 110.316 -176.611 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.649 H312 ' CE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -96.92 47.77 0.11 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.785 2.99 . . . . 0.0 111.226 -175.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -66.51 -28.0 68.21 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -170.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.88 -52.12 4.75 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.348 0.659 . . . . 0.0 109.79 168.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.57 -51.22 70.83 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.714 1.206 . . . . 0.0 113.678 -169.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.61 79.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.536 0.735 . . . . 0.0 110.746 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 72' ' ' VAL . 41.5 mt -75.86 -24.46 55.75 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.084 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -56.05 -48.81 96.01 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.51 -173.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 -24.31 77.28 Favored 'Trans proline' 0 C--N 1.398 3.142 0 C-N-CA 122.653 2.235 . . . . 0.0 113.487 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.95 -43.91 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.498 0.719 . . . . 0.0 109.587 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 7' ' ' LEU . 22.1 m-85 -69.08 -41.99 76.79 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.053 0.541 . . . . 0.0 109.886 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.33 -25.96 68.54 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.121 0.568 . . . . 0.0 111.768 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -75.14 -55.49 5.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.056 0.543 . . . . 0.0 110.249 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.3 t -62.56 -53.97 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.974 . . . . 0.0 111.72 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -89.04 -13.09 39.52 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.542 0.737 . . . . 0.0 111.824 -173.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 54.75 66.29 1.27 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.93 1.292 . . . . 0.0 110.79 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -154.44 101.43 2.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.752 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.93 -10.35 59.71 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 0.0 111.825 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 p -86.95 1.19 53.53 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.096 -0.377 . . . . 0.0 110.932 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.62 107.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.71 102.5 12.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 65' ' ' VAL . 69.1 mt -65.95 139.26 58.23 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.924 0.868 . . . . 0.0 112.14 -167.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 p -125.44 168.8 13.1 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -68.48 -21.54 64.61 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.61 -4.93 46.87 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 m -59.74 111.15 1.34 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.8 0.44 . . . . 0.0 110.541 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.632 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 4.1 m -126.49 173.89 9.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.17 0.588 . . . . 0.0 110.297 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' CB ' H301 ' A' ' 88' ' ' PNS . . . -87.25 92.15 8.97 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 8.5 t30 158.81 -63.76 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -146.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.43 -14.21 59.75 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.744 1.218 . . . . 0.0 111.558 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.16 121.77 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.68 -35.25 62.77 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.263 1.025 . . . . 0.0 111.236 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 -5.07 42.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.985 0.914 . . . . 0.0 112.774 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.414 ' HZ3' HG22 ' A' ' 26' ' ' THR . 3.7 t90 -87.06 71.78 10.14 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.995 0.918 . . . . 0.0 109.695 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.64 167.2 13.54 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.595 1.158 . . . . 0.0 111.777 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -46.98 -57.82 4.61 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.982 1.313 . . . . 0.0 112.082 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.3 -34.12 75.58 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.293 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -64.28 -40.23 95.55 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 110.137 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' HE1' ' S44' ' A' ' 88' ' ' PNS . 85.6 t60 -63.53 -42.41 98.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.639 1.176 . . . . 0.0 110.927 175.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -66.5 -35.52 80.45 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.132 0.573 . . . . 0.0 110.924 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.55 -37.55 87.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 124.051 0.845 . . . . 0.0 109.934 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.3 tm? -65.23 -45.5 84.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.333 0.653 . . . . 0.0 110.646 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 59' ' ' LEU . 1.6 mp -62.0 -48.94 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.199 0.6 . . . . 0.0 110.839 -178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.3 -21.85 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.505 0.322 . . . . 0.0 111.793 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -64.87 -44.47 89.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.721 0.408 . . . . 0.0 110.917 170.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.95 -33.44 76.04 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.623 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.52 -53.19 55.76 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.153 0.981 . . . . 0.0 111.145 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.95 -42.75 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -67.17 -62.86 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.373 0.669 . . . . 0.0 111.572 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.45 ' HB2' HG12 ' A' ' 52' ' ' ILE . 97.3 m-85 -92.31 -10.65 37.59 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -167.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 64.47 21.43 12.46 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.212 1.005 . . . . 0.0 111.615 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 50' ' ' TYR . 19.6 pt -97.33 133.67 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -97.65 111.35 23.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.767 1.227 . . . . 0.0 109.356 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -95.15 131.08 41.56 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.83 149.43 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 tm? -59.7 -29.51 68.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.405 0.682 . . . . 0.0 110.571 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.02 -44.77 97.78 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 48.6 mt-10 -68.56 -30.62 69.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.617 0.767 . . . . 0.0 110.601 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 43' ' ' ILE . 2.6 mm? -60.63 -44.36 96.45 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.477 1.111 . . . . 0.0 111.067 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.14 -13.98 62.13 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.949 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -99.46 -6.36 27.75 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.95 0.9 . . . . 0.0 111.729 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 96.0 mt -84.77 103.43 13.84 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.41 -36.55 14.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.108 0.563 . . . . 0.0 110.07 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 15.8 p30 -150.06 -179.09 6.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.931 -176.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 22' ' ' LEU . 60.5 t -70.24 -14.74 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.364 1.065 . . . . 0.0 110.645 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.18 96.55 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 168.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -68.38 -42.11 79.6 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.056 0.542 . . . . 0.0 109.817 174.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.61 -37.64 79.14 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.79 98.68 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.66 0.384 . . . . 0.0 110.581 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -64.69 -51.13 64.09 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.749 0.82 . . . . 0.0 110.565 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.7 -54.29 20.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.558 0.743 . . . . 0.0 110.932 -172.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 7' ' ' LEU . 95.6 t -52.99 -42.69 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.86 0.864 . . . . 0.0 110.856 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.04 -42.38 97.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.234 0.613 . . . . 0.0 111.197 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 31.6 mmtp -63.26 -41.68 99.06 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.578 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 62.9 mttm -75.33 -36.88 60.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.519 0.728 . . . . 0.0 110.606 -175.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.18 -34.03 76.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.866 0.467 . . . . 0.0 110.405 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.71 79.27 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.516 0.726 . . . . 0.0 110.977 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.5 mmm180 -73.93 -33.92 64.13 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.078 0.551 . . . . 0.0 110.167 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.2 mmtt -65.64 -7.35 14.7 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.07 84.54 0.13 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 121.604 0.716 . . . . 0.0 109.673 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.77 -147.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.798 1.239 . . . . 0.0 108.168 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -86.15 -169.59 2.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.419 . . . . 0.0 109.953 169.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 m80 70.03 -77.19 0.06 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 125.027 1.331 . . . . 0.0 110.413 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.7 m80 68.92 157.71 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.306 1.442 . . . . 0.0 112.863 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -153.68 105.76 2.83 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 173.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 63.68 168.73 0.15 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.844 1.258 . . . . 0.0 110.776 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 CA--C 1.554 1.096 0 CA-C-O 118.758 -0.639 . . . . 0.0 109.453 174.395 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.434 H301 ' CB ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -99.19 40.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.74 2.96 . . . . 0.0 112.504 -175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -63.71 -73.95 0.11 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.827 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 7' ' ' LEU . 70.9 mt -59.36 -32.64 70.3 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.723 0.692 . . . . 0.0 111.375 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.39 -46.34 69.63 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.035 0.934 . . . . 0.0 111.592 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.42 -12.53 27.63 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.753 0.821 . . . . 0.0 112.113 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 4' ' ' LEU . 55.7 mt -80.76 -40.94 24.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.984 0.514 . . . . 0.0 110.043 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -52.23 -49.17 86.32 Favored Pre-proline 0 CA--C 1.571 1.779 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.209 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.94 -31.84 94.26 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.022 1.815 . . . . 0.0 113.146 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -70.54 -47.2 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 123.162 0.585 . . . . 0.0 110.668 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.15 -44.7 75.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.648 0.779 . . . . 0.0 109.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.54 -16.86 63.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.005 0.522 . . . . 0.0 111.878 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -77.27 -56.38 4.61 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.97 0.508 . . . . 0.0 110.15 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 42' ' ' LEU . 55.1 t -57.69 -51.2 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.085 1.354 . . . . 0.0 111.959 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -88.56 -24.13 22.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.606 0.763 . . . . 0.0 111.473 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 59.34 58.82 2.87 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.105 0.962 . . . . 0.0 110.714 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -156.19 119.75 4.34 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.135 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.33 -23.68 54.27 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.321 1.048 . . . . 0.0 111.586 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -62.83 -23.43 67.27 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.855 0.462 . . . . 0.0 111.196 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.79 105.39 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.074 0.95 . . . . 0.0 110.106 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.13 120.7 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.3 137.23 33.1 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.025 0.44 . . . . 0.0 111.157 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -135.7 176.81 8.34 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 166.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.34 -8.34 56.4 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.1 -9.0 16.29 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.149 0.58 . . . . 0.0 111.671 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -65.56 100.47 0.51 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -88.85 169.95 11.15 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.618 ' HB2' H422 ' A' ' 88' ' ' PNS . . . -60.1 -31.87 70.44 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -22.96 62.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.119 0.968 . . . . 0.0 109.989 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.28 -15.35 58.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.595 0.758 . . . . 0.0 111.331 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.77 96.2 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.081 0.952 . . . . 0.0 109.183 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -75.83 92.04 3.03 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 164.74 -37.55 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.682 1.593 . . . . 0.0 108.228 -164.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.41 124.25 27.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.216 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -129.48 -179.94 5.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.944 1.297 . . . . 0.0 108.837 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -27.24 68.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.237 0.615 . . . . 0.0 109.904 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.85 -43.69 78.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.992 0.917 . . . . 0.0 109.95 173.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -61.21 -36.62 80.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.058 0.543 . . . . 0.0 110.722 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.68 -45.98 77.68 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.06 0.85 . . . . 0.0 110.985 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.3 -41.75 94.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.03 0.532 . . . . 0.0 111.133 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -63.94 -43.85 94.6 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 124.266 0.979 . . . . 0.0 110.676 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 2.0 mm? -56.71 -62.13 1.94 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.264 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.98 -50.41 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.227 0.954 . . . . 0.0 110.838 -172.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.52 -34.82 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-N 118.513 0.597 . . . . 0.0 112.223 -176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -69.56 -41.54 75.73 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.036 0.446 . . . . 0.0 110.401 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.0 mt -69.29 -31.06 69.3 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.408 0.683 . . . . 0.0 111.422 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 40.6 mm-40 -60.85 -59.41 5.43 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.287 1.035 . . . . 0.0 109.504 175.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.43 -36.88 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.864 -170.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -68.33 -54.42 17.55 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.828 0.451 . . . . 0.0 112.154 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.93 -16.01 39.81 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.54 44.25 18.09 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.748 1.219 . . . . 0.0 111.146 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.07 165.91 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.176 0.59 . . . . 0.0 110.177 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.71 104.45 13.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.146 0.979 . . . . 0.0 110.589 -171.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.495 ' HB3' HD21 ' A' ' 59' ' ' LEU . 98.5 m-85 -87.87 112.31 22.36 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.089 0.955 . . . . 0.0 109.009 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.44 130.28 34.62 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -61.2 -25.57 67.13 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.685 0.794 . . . . 0.0 110.695 -174.111 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -40.07 96.89 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.396 0.435 . . . . 0.0 112.443 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 45.0 mt-10 -67.34 -40.92 85.92 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.551 0.741 . . . . 0.0 110.114 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 62' ' ' LEU . 4.6 mm? -57.72 -36.44 72.03 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.073 0.949 . . . . 0.0 111.593 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -59.77 -21.47 60.82 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.471 0.709 . . . . 0.0 112.699 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' A' ' 61' ' ' LYS . 10.8 mmpt? -107.97 0.66 22.03 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.039 0.936 . . . . 0.0 112.062 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 59' ' ' LEU . 54.4 mt -94.64 90.86 6.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.634 ' HA ' H381 ' A' ' 88' ' ' PNS . 0.9 OUTLIER -80.76 -29.31 36.23 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.256 1.023 . . . . 0.0 110.597 -171.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.563 HD22 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -140.64 171.6 13.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.586 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.01 -24.29 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.559 1.144 . . . . 0.0 111.153 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.98 -37.66 74.03 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 113.143 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.563 ' H ' HD22 ' A' ' 64' ' ' ASN . 69.9 m-20 -67.73 -42.27 82.15 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . 58.0 tp -63.05 -40.54 98.02 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.268 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.91 77.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 0.0 110.664 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.53 -36.65 78.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.083 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 2.5 tm? -70.51 -35.16 73.05 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.031 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 68' ' ' LEU . 92.5 t -62.98 -43.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.774 0.43 . . . . 0.0 110.222 171.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -59.18 -41.13 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.475 0.71 . . . . 0.0 110.483 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -61.92 -43.77 98.16 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.417 1.073 . . . . 0.0 110.839 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.0 mmtt -65.85 -43.8 87.36 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.48 -20.99 62.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.215 0.606 . . . . 0.0 111.262 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.48 27.4 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.534 0.734 . . . . 0.0 110.167 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -73.0 -31.45 64.5 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.545 0.738 . . . . 0.0 110.34 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.58 -72.11 0.47 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.4 mt 57.9 13.65 2.22 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.873 1.269 . . . . 0.0 111.379 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.02 -173.37 4.69 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 109.941 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 62.7 79.47 0.26 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.059 0.944 . . . . 0.0 109.238 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -77.31 80.54 3.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -153.39 87.07 1.23 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -99.47 141.67 31.96 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -62.64 -24.81 67.8 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.93 0.492 . . . . 0.0 111.778 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 124.304 1.042 . . . . 0.0 109.302 174.198 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.634 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.12 -7.83 9.06 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.67 2.247 . . . . 0.0 113.35 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 18.3 p -62.52 -49.76 74.05 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.777 -176.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.6 -43.85 65.62 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.679 0.792 . . . . 0.0 112.189 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.63 -43.84 85.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.316 1.047 . . . . 0.0 111.301 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.19 63.28 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 3' ' ' THR . 95.7 mt -75.29 -29.15 60.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.013 0.525 . . . . 0.0 110.179 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -54.89 -50.03 88.48 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.259 -0.877 . . . . 0.0 113.322 -174.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.38 -25.01 71.17 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 122.117 1.878 . . . . 0.0 112.765 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.5 mm -69.12 -47.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.83 -46.01 80.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.538 0.735 . . . . 0.0 110.491 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.52 -34.9 73.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.78 0.832 . . . . 0.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -70.15 -53.73 15.99 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.484 0.714 . . . . 0.0 110.998 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' ILE . 90.9 t -55.49 -54.6 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.747 0.819 . . . . 0.0 111.338 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 42' ' ' LEU . 83.8 m-85 -84.44 -4.22 58.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 77.51 -9.91 1.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.392 1.077 . . . . 0.0 112.057 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.46 131.31 55.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.5 0.72 . . . . 0.0 110.757 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -86.13 -0.69 56.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.068 0.947 . . . . 0.0 113.432 -174.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -74.64 -15.82 60.8 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.151 0.432 . . . . 0.0 111.338 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -64.76 115.02 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.394 0.677 . . . . 0.0 110.784 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.05 132.24 66.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 mt -97.92 140.03 32.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.81 0.814 . . . . 0.0 111.933 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.6 p -136.36 178.38 7.11 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 126.214 1.805 . . . . 0.0 106.191 170.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.04 -49.79 75.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.422 0.289 . . . . 0.0 111.232 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -88.17 4.97 43.64 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 m -52.24 127.26 21.41 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.195 0.598 . . . . 0.0 110.387 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -141.16 161.31 38.18 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.388 0.675 . . . . 0.0 110.01 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -21.94 64.03 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.43 1.092 . . . . 0.0 113.683 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -35.39 76.58 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.044 0.938 . . . . 0.0 110.385 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.9 -15.01 58.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.714 0.805 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.98 107.96 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.09 -39.97 95.21 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.546 0.739 . . . . 0.0 111.306 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.14 58.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.768 0.827 . . . . 0.0 112.74 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.66 120.38 21.76 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.378 0.671 . . . . 0.0 110.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.4 m-20 -119.42 -172.2 2.27 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.3 1.44 . . . . 0.0 109.741 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.3 m -69.54 -45.41 68.86 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.037 0.935 . . . . 0.0 109.967 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.84 -32.8 74.53 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.866 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 19.5 m -68.59 -41.23 79.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.336 0.654 . . . . 0.0 110.27 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -62.52 -39.37 93.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.819 0.848 . . . . 0.0 110.46 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.8 mmm -73.12 -30.9 63.97 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.886 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.874 0.469 . . . . 0.0 110.136 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.8 mm? -61.99 -57.59 11.11 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.691 0.619 . . . . 0.0 110.487 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.23 -46.08 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 124.332 1.02 . . . . 0.0 111.172 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.77 -29.66 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.1 m -65.14 -40.55 94.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.673 0.389 . . . . 0.0 110.057 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 43.3 mt -71.32 -30.61 66.43 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.565 0.346 . . . . 0.0 110.777 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 7.9 mm-40 -62.33 -55.94 23.26 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.946 0.898 . . . . 0.0 110.722 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.48 -41.55 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.281 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -68.05 -53.56 24.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 0.0 112.161 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' HB3' HD21 ' A' ' 76' ' ' LEU . 90.9 m-85 -93.75 -3.0 52.97 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.862 0.465 . . . . 0.0 112.003 -175.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.96 24.66 14.67 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.01 1.324 . . . . 0.0 111.328 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' HB ' ' HD3' ' A' ' 75' ' ' LYS . 25.3 pt -97.49 -176.68 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.45 0.7 . . . . 0.0 109.852 -171.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -138.57 112.61 8.54 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.287 0.635 . . . . 0.0 110.154 -173.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.36 136.03 42.91 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -104.22 169.16 8.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.28 -35.6 75.91 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.123 0.569 . . . . 0.0 110.475 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.43 93.45 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 34.2 mt-10 -76.8 -24.34 52.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.656 0.782 . . . . 0.0 110.828 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 55' ' ' ALA . 1.2 mm? -67.32 -39.79 85.92 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.918 0.887 . . . . 0.0 109.192 172.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.2 -20.08 63.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.017 0.527 . . . . 0.0 111.393 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.01 -23.75 55.25 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.744 0.818 . . . . 0.0 111.055 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 51.6 mt -84.46 84.27 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.17 0.588 . . . . 0.0 109.65 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -88.37 -25.28 22.8 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.138 0.975 . . . . 0.0 109.342 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.693 ' HA ' H432 ' A' ' 88' ' ' PNS . 0.1 OUTLIER -153.53 176.49 11.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.435 0.694 . . . . 0.0 110.831 172.362 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' HA ' HD23 ' A' ' 68' ' ' LEU . 57.9 t -69.66 -15.52 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.257 1.023 . . . . 0.0 111.594 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.76 -27.52 73.61 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -78.47 -30.52 47.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.537 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.6 mm? -66.43 -35.53 80.53 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.73 0.695 . . . . 0.0 109.514 168.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.67 98.33 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.72 0.408 . . . . 0.0 109.902 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 25.5 t70 -63.22 -62.54 1.63 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.416 1.073 . . . . 0.0 110.637 177.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.08 -54.04 49.68 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.419 0.688 . . . . 0.0 111.195 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -57.46 -38.8 65.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.612 0.57 . . . . 0.0 110.421 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.31 -46.87 86.8 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.027 0.531 . . . . 0.0 111.546 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 71.2 mmtt -65.37 -34.61 78.71 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.721 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HD3' ' HB ' ' A' ' 52' ' ' ILE . 64.9 mttm -77.08 -38.41 52.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.765 0.826 . . . . 0.0 111.204 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 50' ' ' TYR . 84.8 mt -71.54 -23.6 61.8 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.579 0.549 . . . . 0.0 110.662 176.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -49.07 72.36 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.897 0.748 . . . . 0.0 109.568 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.7 mmt85 -66.98 -18.47 65.4 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.419 0.687 . . . . 0.0 112.284 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.92 -38.39 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.911 0.484 . . . . 0.0 110.829 174.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.28 -72.81 0.68 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.561 0.744 . . . . 0.0 109.233 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.42 94.18 6.76 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.34 0.656 . . . . 0.0 110.166 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -70.41 79.11 0.55 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.1 m80 67.69 -175.11 0.19 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.343 1.457 . . . . 0.0 111.362 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -130.65 -178.75 4.93 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.349 1.06 . . . . 0.0 109.49 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 m80 58.25 49.91 10.49 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.005 0.922 . . . . 0.0 110.62 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -69.47 92.29 0.61 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.374 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.7 m170 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 123.671 0.789 . . . . 0.0 108.967 -178.332 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.693 H432 ' HA ' ' A' ' 64' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 1.3 mpt? . . . . . 0 CA--C 1.561 1.391 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 20.6 Cg_endo -92.36 47.37 0.46 Allowed 'Trans proline' 0 C--N 1.395 3.008 0 C-N-CA 122.819 2.346 . . . . 0.0 110.855 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 73' ' ' ASP . 53.0 p -63.04 -75.67 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.829 -166.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.15 -30.59 71.71 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.534 0.734 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.66 -56.38 22.62 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.312 1.045 . . . . 0.0 111.138 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.79 73.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.701 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.87 -32.38 70.71 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.638 0.375 . . . . 0.0 111.554 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -54.92 -50.28 87.14 Favored Pre-proline 0 CA--C 1.573 1.849 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.179 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.9 -41.0 78.46 Favored 'Trans proline' 0 C--N 1.393 2.91 0 C-N-CA 122.786 2.324 . . . . 0.0 113.458 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.11 -53.05 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.244 0.618 . . . . 0.0 110.73 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.0 -46.9 79.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.614 0.765 . . . . 0.0 110.609 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.88 -28.93 70.38 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.863 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.3 -58.71 3.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.805 0.442 . . . . 0.0 110.37 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.6 t -56.28 -55.84 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 0.0 112.247 -174.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.96 -21.0 40.73 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.782 0.433 . . . . 0.0 110.651 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 t70 61.17 79.99 0.23 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.046 1.338 . . . . 0.0 110.51 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -167.58 125.84 1.25 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.861 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -73.4 -26.56 61.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.244 1.018 . . . . 0.0 111.784 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -72.62 -9.57 58.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.013 0.525 . . . . 0.0 112.175 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.1 101.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.6 t -116.91 110.75 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 65' ' ' VAL . 90.6 mt -91.08 129.81 37.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.107 0.48 . . . . 0.0 111.9 -169.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -128.33 169.73 13.9 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp-105 -74.61 0.3 15.46 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.14 -3.97 10.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.188 0.595 . . . . 0.0 111.403 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -62.42 138.94 58.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.5 p -150.65 -175.29 5.05 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 109.677 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -12.62 59.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -76.04 -33.61 59.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.75 -24.59 35.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.59 0.756 . . . . 0.0 111.451 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.0 100.07 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.81 -40.17 87.47 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.12 0.968 . . . . 0.0 111.432 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.4 21.37 0.95 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 112.511 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -86.18 76.15 9.78 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 121.814 -0.554 . . . . 0.0 109.98 174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.169 0.988 . . . . 0.0 111.673 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -63.84 -46.6 84.29 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.3 -29.23 67.04 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -71.19 -35.14 71.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.655 0.782 . . . . 0.0 109.811 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -66.88 -41.43 87.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 110.477 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.1 mmm -62.98 -40.43 97.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.81 0.444 . . . . 0.0 110.742 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.87 -35.5 80.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.777 0.673 . . . . 0.0 110.699 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -63.56 -49.05 74.93 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.747 0.819 . . . . 0.0 110.207 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.27 -49.6 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.516 0.727 . . . . 0.0 110.708 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.84 -24.84 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -70.22 -37.61 75.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.991 0.517 . . . . 0.0 110.809 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -36.46 79.33 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 122.861 0.464 . . . . 0.0 110.315 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.18 -59.49 5.23 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.874 0.869 . . . . 0.0 111.505 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.01 -41.48 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -68.86 -58.08 4.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.719 0.408 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -83.24 -15.41 50.44 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 mttp 58.9 43.92 17.35 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.251 1.02 . . . . 0.0 111.53 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.2 pt -105.76 -171.7 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.744 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.14 109.01 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.84 0.745 . . . . 0.0 111.109 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.426 ' HB3' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -88.34 127.58 35.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -92.44 138.33 31.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 164.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.08 -27.0 68.6 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.102 0.561 . . . . 0.0 109.644 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.68 93.52 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.429 -0.351 . . . . 0.0 112.587 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.7 mt-10 -68.63 -35.91 77.93 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.518 0.727 . . . . 0.0 111.166 174.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -61.49 -37.19 82.75 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.473 0.709 . . . . 0.0 111.581 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -63.15 -21.38 66.16 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.896 0.478 . . . . 0.0 111.911 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -92.65 -9.5 40.7 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.636 0.774 . . . . 0.0 110.723 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 59' ' ' LEU . 73.3 mt -97.6 110.32 22.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.334 0.653 . . . . 0.0 109.284 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -29.24 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.148 0.979 . . . . 0.0 110.692 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -149.36 177.31 9.79 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD22 ' A' ' 22' ' ' LEU . 47.0 t -64.77 -25.04 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 124.405 1.082 . . . . 0.0 111.091 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.31 96.92 Favored Glycine 0 C--N 1.344 1.005 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.23 -42.31 93.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.93 0.492 . . . . 0.0 109.939 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.495 HD21 ' S44' ' A' ' 88' ' ' PNS . 4.5 mm? -63.31 -36.9 85.22 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.738 0.415 . . . . 0.0 111.115 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -59.1 -59.02 6.13 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 -177.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.8 m-20 -59.62 -49.6 77.14 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.215 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 62' ' ' LEU . 2.2 tm? -68.27 -48.3 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.196 0.999 . . . . 0.0 112.217 -170.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 76.2 t -57.04 -39.65 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 175.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 3' ' ' THR . 27.1 t70 -74.4 -24.42 59.11 Favored 'General case' 0 CA--C 1.555 1.149 0 O-C-N 123.377 0.423 . . . . 0.0 111.65 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.9 mmtp -69.21 -31.04 69.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 71' ' ' LEU . 66.6 mttm -82.27 -22.32 35.8 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.21 175.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.0 mt -75.22 -27.89 59.73 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -70.62 -29.23 65.56 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.039 170.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 31.3 mmt180 -72.91 -26.39 61.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.225 0.61 . . . . 0.0 110.9 170.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mmmp? -70.76 -10.15 58.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 77' ' ' ALA . 4.3 mm? -63.88 137.25 57.95 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 163.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 143.85 35.35 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.855 0.722 . . . . 0.0 111.289 -168.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -58.29 -32.81 68.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.555 1.142 . . . . 0.0 111.413 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -167.02 -27.84 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.947 0.78 . . . . 0.0 112.002 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.2 t60 71.19 -73.78 0.09 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.262 1.425 . . . . 0.0 110.671 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -80.79 122.61 27.38 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -68.67 141.04 55.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.96 0.904 . . . . 0.0 111.548 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 C--O 1.256 1.41 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 170.738 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.495 ' S44' HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -85.31 28.28 0.57 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.097 2.531 . . . . 0.0 112.083 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 p -73.05 -76.54 0.12 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.082 0.953 . . . . 0.0 111.161 -166.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.03 -37.64 85.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.481 0.713 . . . . 0.0 110.416 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.05 -49.49 68.85 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.336 1.055 . . . . 0.0 111.731 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.4 -31.04 37.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.328 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 72' ' ' VAL . 83.9 mt -71.51 -32.99 68.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.722 0.409 . . . . 0.0 111.491 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 87.1 m -54.71 -51.51 78.2 Favored Pre-proline 0 CA--C 1.568 1.658 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.981 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 38.4 Cg_exo -60.94 -26.76 83.71 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 122.329 2.02 . . . . 0.0 113.879 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.79 -53.55 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.22 -44.89 78.42 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.16 0.584 . . . . 0.0 110.301 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -55.01 -38.96 68.58 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.447 0.699 . . . . 0.0 111.85 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -72.32 -58.7 3.19 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 111.293 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 42' ' ' LEU . 98.3 t -61.14 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 124.159 0.983 . . . . 0.0 112.352 -172.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.403 ' CE2' HD21 ' A' ' 42' ' ' LEU . 89.7 m-85 -80.31 -23.29 40.76 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.288 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 t70 59.66 70.58 0.63 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.303 1.002 . . . . 0.0 109.054 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.54 117.5 2.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.013 -176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.91 -20.14 59.84 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.382 1.073 . . . . 0.0 112.346 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m -75.93 -7.01 53.57 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.076 -0.39 . . . . 0.0 112.049 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.07 106.7 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.06 0.544 . . . . 0.0 110.11 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.46 103.82 14.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 174.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.96 130.84 45.69 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.467 0.707 . . . . 0.0 112.435 -171.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -119.35 170.42 9.14 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -66.34 -21.16 66.24 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.406 174.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.61 -2.74 29.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 0.0 112.441 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . 98.5 m -60.79 120.6 10.42 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.496 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 89.7 p -136.84 175.46 9.6 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.759 0.823 . . . . 0.0 110.409 -175.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.19 64.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.862 0.865 . . . . 0.0 112.106 172.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -73.35 -35.65 66.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.385 1.074 . . . . 0.0 111.196 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 27' ' ' SER . 38.9 t70 -74.73 -20.44 59.83 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.64 1.176 . . . . 0.0 113.322 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HE3' ' A' ' 34' ' ' TRP . 52.9 mt -120.16 121.5 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.14 -34.95 75.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.935 0.894 . . . . 0.0 111.428 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.09 9.73 5.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.402 ' HE3' ' HB ' ' A' ' 31' ' ' ILE . 2.6 t90 -96.4 121.51 38.28 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.3 166.41 14.71 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.587 1.155 . . . . 0.0 108.643 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -63.83 -31.5 72.7 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.16 0.584 . . . . 0.0 110.066 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.55 -42.66 92.87 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.556 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -63.95 -37.8 88.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.63 0.772 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 85.4 m-70 -56.37 -44.39 80.12 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.839 0.712 . . . . 0.0 112.014 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.2 mmm -61.39 -29.99 70.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.525 0.202 . . . . 0.0 111.54 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -74.03 -33.59 63.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.275 0.63 . . . . 0.0 110.886 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.524 HD22 HG11 ' A' ' 14' ' ' VAL . 3.8 mm? -60.76 -56.48 20.69 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.221 0.608 . . . . 0.0 109.874 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.02 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.708 1.255 . . . . 0.0 110.065 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.1 -32.79 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -69.37 -39.8 77.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.914 0.485 . . . . 0.0 111.102 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 83.5 mt -68.02 -36.54 80.11 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.9 mm-40 -70.38 -38.21 74.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.035 0.934 . . . . 0.0 112.02 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.9 -47.07 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -66.24 -44.54 83.48 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.85 0.46 . . . . 0.0 111.53 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -93.19 -5.74 49.36 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.921 -0.562 . . . . 0.0 111.263 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.288 0.0 OUTLIER 43.08 41.7 2.89 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 125.371 1.469 . . . . 0.0 112.754 -174.734 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.734 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 24.1 pt -104.27 -173.97 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.074 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -144.14 106.46 4.39 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.549 0.339 . . . . 0.0 110.235 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -88.03 155.74 19.66 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.886 0.874 . . . . 0.0 108.712 164.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.35 148.0 33.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 165.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.33 -26.8 68.93 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -58.42 -44.03 95.49 Favored Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 170.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.15 93.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.501 0.72 . . . . 0.0 110.301 174.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -57.77 -42.52 84.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.385 0.674 . . . . 0.0 111.368 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -67.42 -24.35 65.64 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.843 0.457 . . . . 0.0 111.356 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 39.0 mmtm -81.83 -12.81 58.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.211 0.605 . . . . 0.0 111.227 176.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 67' ' ' ASP . 16.1 mt -84.13 144.63 28.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -118.49 -34.49 4.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.474 0.709 . . . . 0.0 110.033 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -152.44 177.95 10.06 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.774 0.83 . . . . 0.0 111.18 -172.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -72.62 -10.13 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 124.22 1.008 . . . . 0.0 111.162 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.07 -33.45 87.14 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.635 ' HB3' HD22 ' A' ' 62' ' ' LEU . 17.3 m-20 -73.57 -37.68 65.43 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.452 0.701 . . . . 0.0 110.65 174.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.8 mm? -63.64 -40.24 96.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 117.721 0.237 . . . . 0.0 110.432 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.4 88.83 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.871 0.469 . . . . 0.0 109.827 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.2 t70 -64.58 -59.07 4.72 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.484 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' HE2' ' A' ' 75' ' ' LYS . 4.1 mm? -63.41 -50.68 68.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.325 0.65 . . . . 0.0 111.606 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 7' ' ' LEU . 93.7 t -55.82 -44.31 77.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 123.759 0.662 . . . . 0.0 110.41 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.02 -45.34 90.95 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.329 0.585 . . . . 0.0 111.776 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 74.2 mmtt -69.23 -39.43 78.54 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.017 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HE2' HD12 ' A' ' 71' ' ' LEU . 68.5 mttm -73.97 -38.35 64.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.442 0.697 . . . . 0.0 110.612 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 80.5 mt -61.17 -41.73 97.3 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.01 77.42 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.505 0.722 . . . . 0.0 111.466 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.7 mmt180 -69.96 -31.64 69.46 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.148 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.734 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 74.6 mmtt -85.01 -18.5 34.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.825 0.85 . . . . 0.0 111.694 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.17 -2.25 30.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.1 0.56 . . . . 0.0 110.703 174.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.75 157.18 24.97 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.819 0.848 . . . . 0.0 108.951 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -62.29 179.84 0.28 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.392 1.077 . . . . 0.0 112.164 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 77.42 139.12 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.573 1.549 . . . . 0.0 111.923 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 63.2 82.78 0.17 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.38 1.472 . . . . 0.0 112.195 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -94.9 143.31 26.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.478 0.711 . . . . 0.0 110.474 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -81.07 123.41 28.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.496 0.718 . . . . 0.0 109.262 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.1 p80 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 123.404 0.682 . . . . 0.0 110.514 178.568 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.577 H303 ' H36' ' A' ' 88' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -93.51 3.09 3.26 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 121.95 1.766 . . . . 0.0 114.371 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 p -70.47 -68.31 0.44 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.77 -172.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.26 -36.33 63.48 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 118.78 0.718 . . . . 0.0 111.929 -172.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.68 -50.71 65.24 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.337 1.055 . . . . 0.0 111.67 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.42 -23.84 34.66 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.873 0.869 . . . . 0.0 111.576 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.29 -34.11 42.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.265 0.626 . . . . 0.0 110.896 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -55.11 -47.44 98.5 Favored Pre-proline 0 CA--C 1.572 1.799 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.514 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.26 -41.74 57.14 Favored 'Trans proline' 0 C--N 1.393 2.869 0 C-N-CA 122.8 2.333 . . . . 0.0 113.516 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 HG21 HD23 ' A' ' 46' ' ' LEU . 34.8 mm -65.5 -51.02 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.055 0.542 . . . . 0.0 110.038 -175.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.47 -39.13 93.65 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.789 0.681 . . . . 0.0 110.829 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.49 ' NH2' HG22 ' A' ' 21' ' ' VAL . 90.2 mtt180 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.189 0.196 . . . . 0.0 111.247 177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -74.81 -47.31 31.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.275 0.23 . . . . 0.0 111.545 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.59 -54.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.187 0.995 . . . . 0.0 111.325 177.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.91 -3.96 57.6 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.504 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.06 8.38 6.47 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.76 1.224 . . . . 0.0 111.146 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.04 165.73 12.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.582 1.153 . . . . 0.0 111.054 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -112.11 -40.93 4.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.504 1.121 . . . . 0.0 110.065 -175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 m -80.83 -5.69 57.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.949 0.9 . . . . 0.0 112.771 -166.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -66.61 108.73 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.696 0.399 . . . . 0.0 110.205 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.49 HG22 ' NH2' ' A' ' 12' ' ' ARG . 43.0 t -127.87 98.88 4.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 HG11 ' A' ' 65' ' ' VAL . 98.3 mt -59.18 145.14 43.7 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -165.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 p -137.17 169.38 17.87 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.615 -1.175 . . . . 0.0 107.915 168.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.91 -37.45 76.68 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.358 0.663 . . . . 0.0 112.496 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.54 0.89 53.53 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 65' ' ' VAL . 22.6 m -61.62 93.68 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.916 0.486 . . . . 0.0 111.254 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -92.44 170.45 9.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.225 0.61 . . . . 0.0 110.114 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' H ' H422 ' A' ' 88' ' ' PNS . . . -67.34 -11.86 58.73 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.713 0.405 . . . . 0.0 111.859 169.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.31 -23.4 40.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.75 0.82 . . . . 0.0 110.636 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.73 -17.89 34.62 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.633 0.773 . . . . 0.0 112.283 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.06 116.24 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.04 -30.26 62.33 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.406 0.282 . . . . 0.0 111.091 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.33 -26.25 67.96 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.63 0.772 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -75.93 114.76 14.93 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -132.92 175.51 9.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.313 1.445 . . . . 0.0 107.993 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -50.71 -38.7 48.69 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.839 0.855 . . . . 0.0 111.563 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.16 -40.6 90.65 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.142 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 m -70.92 -30.28 66.56 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.461 0.704 . . . . 0.0 111.25 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.782 ' CE1' H312 ' A' ' 88' ' ' PNS . 58.2 m80 -60.12 -45.41 93.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.257 0.623 . . . . 0.0 110.744 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.47 -45.62 93.07 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.698 0.624 . . . . 0.0 110.568 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.45 -44.8 96.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.816 0.846 . . . . 0.0 111.293 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.94 -45.76 80.64 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.657 0.783 . . . . 0.0 110.826 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.6 mp -68.8 -45.53 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.531 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.93 -28.41 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.29 0.495 . . . . 0.0 111.461 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.4 -43.43 94.45 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.59 0.556 . . . . 0.0 110.936 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.44 HD23 HG21 ' A' ' 10' ' ' ILE . 59.0 mt -68.54 -33.73 74.62 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.401 -0.187 . . . . 0.0 110.707 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 56.1 mm-40 -57.59 -56.57 20.22 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.187 0.995 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.12 -40.85 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -67.22 -51.74 49.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.585 0.354 . . . . 0.0 111.699 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -93.98 -2.74 52.67 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.075 0.55 . . . . 0.0 112.139 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 65.44 25.26 11.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.759 1.224 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.0 pt -102.78 178.64 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.222 0.609 . . . . 0.0 110.771 -168.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -147.68 116.08 6.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -95.37 147.89 23.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.108 0.963 . . . . 0.0 109.125 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 158.19 15.56 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 167.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -32.49 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.52 89.08 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 113.168 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -71.89 -33.8 68.65 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.759 0.424 . . . . 0.0 110.764 175.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.45 -31.07 70.98 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.149 0.58 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -58.88 -34.93 72.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.41 0.684 . . . . 0.0 111.274 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -87.63 3.69 46.76 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.034 0.534 . . . . 0.0 112.085 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -99.28 98.03 9.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.81 -29.61 17.48 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.919 0.888 . . . . 0.0 109.256 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -155.93 178.55 10.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.272 0.629 . . . . 0.0 111.146 -179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 22' ' ' LEU . 25.7 t -68.52 -16.66 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.627 0.771 . . . . 0.0 111.504 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.99 -31.31 72.35 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 27.1 m-20 -68.38 -38.43 81.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.17 -30.21 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.047 0.539 . . . . 0.0 111.24 173.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -52.24 65.14 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 6.7 m-20 -70.03 -38.47 75.88 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.87 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.03 -53.6 19.61 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 123.383 0.673 . . . . 0.0 109.924 -173.086 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 47.5 t -65.61 -28.43 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.101 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -36.2 83.36 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 122.937 0.495 . . . . 0.0 110.961 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.6 mmmt -60.18 -44.29 95.17 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 74.9 mmtt -71.74 -36.56 70.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.169 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 68.8 mt -70.14 -36.49 74.81 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.28 0.632 . . . . 0.0 110.09 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -35.39 72.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.825 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.53 -33.14 62.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.627 0.371 . . . . 0.0 110.992 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.3 mmtt -79.33 -4.77 52.43 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.636 0.774 . . . . 0.0 112.23 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -22.78 63.23 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.379 0.672 . . . . 0.0 111.238 171.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -75.95 -9.04 58.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.627 0.771 . . . . 0.0 111.823 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -109.02 -175.88 2.89 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 109.456 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -155.29 -154.82 0.52 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.408 1.083 . . . . 0.0 108.369 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.9 t60 73.3 103.1 0.07 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.629 1.171 . . . . 0.0 110.551 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -130.58 174.26 10.08 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.331 1.052 . . . . 0.0 110.442 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -153.74 -16.79 0.14 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.514 0.725 . . . . 0.0 111.126 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 70.4 t60 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 123.568 0.747 . . . . 0.0 109.259 -174.721 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.782 H312 ' CE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtp . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 118.28 -0.866 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -92.12 26.22 0.43 Allowed 'Trans proline' 0 C--N 1.389 2.699 0 C-N-CA 122.299 2.0 . . . . 0.0 113.18 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 73' ' ' ASP . 46.2 p -73.72 -65.02 0.88 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.826 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.07 -40.0 63.72 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 123.292 0.637 . . . . 0.0 110.766 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.37 -47.41 81.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.61 1.164 . . . . 0.0 111.706 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.73 55.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.249 0.62 . . . . 0.0 111.928 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 72' ' ' VAL . 85.7 mt -79.58 -32.88 42.07 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 123.099 0.559 . . . . 0.0 110.593 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -56.62 -47.29 99.25 Favored Pre-proline 0 CA--C 1.57 1.733 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.985 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.03 -32.49 93.31 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.778 2.319 . . . . 0.0 113.766 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.91 -43.87 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.035 0.534 . . . . 0.0 109.93 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.36 -42.56 75.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.475 0.71 . . . . 0.0 110.373 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.78 -23.93 67.56 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.006 0.522 . . . . 0.0 111.803 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -80.25 -59.84 2.55 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.25 0.62 . . . . 0.0 110.391 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.6 -54.52 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 125.067 1.347 . . . . 0.0 112.23 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -83.37 -23.29 32.5 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.256 0.622 . . . . 0.0 110.8 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 t70 61.21 80.21 0.23 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.414 1.071 . . . . 0.0 110.394 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -163.89 115.03 1.34 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.888 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.88 -29.71 69.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.732 1.213 . . . . 0.0 112.494 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -78.31 -18.56 55.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.986 -0.531 . . . . 0.0 111.981 -168.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.51 114.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 122.868 0.467 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.82 107.58 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 65' ' ' VAL . 89.1 mt -73.59 141.29 46.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -170.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -131.81 174.69 9.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 125.403 1.481 . . . . 0.0 107.053 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -66.98 -28.25 68.11 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.879 0.472 . . . . 0.0 111.592 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -96.8 -8.78 30.24 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.993 0.517 . . . . 0.0 111.66 -174.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -58.77 139.86 55.7 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.6 p -158.47 -179.48 8.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.724 0.81 . . . . 0.0 109.373 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.675 ' H ' H422 ' A' ' 88' ' ' PNS . . . -76.9 -7.7 56.0 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.813 0.445 . . . . 0.0 111.567 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -81.91 -31.09 31.56 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.87 -17.74 24.81 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.982 1.313 . . . . 0.0 111.463 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.2 mt -118.85 100.79 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.78 -31.46 72.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.878 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.46 8.43 4.26 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -111.35 131.01 55.5 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.671 0.789 . . . . 0.0 110.233 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.15 171.27 11.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.738 1.215 . . . . 0.0 109.862 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.522 ' H ' ' P24' ' A' ' 88' ' ' PNS . 25.7 p -73.7 -17.32 61.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.4 0.68 . . . . 0.0 111.71 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.34 -41.72 84.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 165.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -73.38 -25.57 60.62 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.864 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CE1' H421 ' A' ' 88' ' ' PNS . 8.0 m-70 -57.21 -41.63 79.79 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.136 0.574 . . . . 0.0 110.805 171.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.6 mmt -60.82 -49.03 79.11 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.545 0.528 . . . . 0.0 110.674 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.85 -46.7 88.45 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.375 1.047 . . . . 0.0 110.947 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.2 -52.4 59.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.374 1.07 . . . . 0.0 110.941 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -62.08 -46.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.444 0.698 . . . . 0.0 110.794 -175.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.36 -27.6 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.097 0.408 . . . . 0.0 112.062 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -62.49 -42.23 99.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.918 0.487 . . . . 0.0 110.382 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.411 HD22 ' HE2' ' A' ' 50' ' ' TYR . 50.5 mt -71.06 -33.95 70.74 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.752 0.421 . . . . 0.0 111.484 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.5 mm-40 -61.02 -51.69 68.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.777 0.831 . . . . 0.0 110.529 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.76 -37.1 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -67.24 -57.19 7.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.279 0.632 . . . . 0.0 112.306 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.411 ' HE2' HD22 ' A' ' 46' ' ' LEU . 62.2 m-85 -92.3 -2.69 56.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.472 -173.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 61.8 33.41 17.76 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.116 0.966 . . . . 0.0 110.926 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 75' ' ' LYS . 29.0 pt -107.19 176.21 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 0.0 110.386 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -140.92 105.8 4.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -82.3 133.88 35.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.07 152.35 18.84 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.8 tm? -57.86 -29.33 64.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.313 0.645 . . . . 0.0 110.587 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -38.11 95.5 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.189 0.306 . . . . 0.0 112.963 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.71 -25.79 53.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.762 0.825 . . . . 0.0 110.756 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 62' ' ' LEU . 3.1 mm? -68.37 -37.08 80.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.023 0.929 . . . . 0.0 110.375 172.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -61.6 -18.0 57.52 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.162 0.585 . . . . 0.0 112.318 171.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -95.46 -0.03 52.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.404 0.682 . . . . 0.0 112.453 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 59' ' ' LEU . 70.8 mt -98.11 93.45 6.28 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.295 0.498 . . . . 0.0 109.993 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -102.63 -30.89 10.66 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.687 0.795 . . . . 0.0 109.351 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -134.64 170.73 15.37 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.23 0.612 . . . . 0.0 109.479 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 22' ' ' LEU . 21.9 t -66.96 -20.58 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.808 0.843 . . . . 0.0 110.098 170.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.65 -42.33 87.92 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.93 -42.51 99.19 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.25 0.62 . . . . 0.0 110.33 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.6 tp -68.59 -29.47 68.01 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.87 75.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.363 0.665 . . . . 0.0 109.929 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 71.8 m-20 -64.45 -45.98 85.08 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.828 173.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -64.06 -49.63 71.57 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.061 0.85 . . . . 0.0 110.375 -173.602 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 7' ' ' LEU . 71.0 t -59.62 -40.44 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.785 0.834 . . . . 0.0 110.298 175.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.562 ' HB2' HG21 ' A' ' 3' ' ' THR . 15.5 t70 -64.67 -35.37 80.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.173 0.589 . . . . 0.0 110.98 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.6 mmmt -67.15 -37.26 83.49 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.25 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 75.2 mmtt -70.61 -38.03 73.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.518 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 78.7 mt -74.27 -22.29 59.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.505 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.85 83.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.286 0.634 . . . . 0.0 109.701 169.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 21.2 mmt180 -68.47 -34.07 75.29 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.873 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB3' ' HG2' ' A' ' 81' ' ' GLU . 37.0 mmtm -73.73 -64.69 0.95 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.38 0.672 . . . . 0.0 110.176 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.7 -61.7 0.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.606 1.962 . . . . 0.0 110.317 -171.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HG2' ' HB3' ' A' ' 79' ' ' LYS . 59.0 mm-40 75.06 -179.47 0.18 Allowed 'General case' 0 C--O 1.244 0.79 0 C-N-CA 125.379 1.472 . . . . 0.0 112.464 171.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -80.17 84.51 5.85 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.87 -170.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -78.07 -37.1 47.4 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -115.43 169.79 8.89 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.334 1.454 . . . . 0.0 108.881 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -67.89 165.05 18.44 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.066 0.546 . . . . 0.0 112.29 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.24 172.06 14.26 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.815 0.846 . . . . 0.0 111.481 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 125.954 1.702 . . . . 0.0 112.868 -176.023 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.675 H422 ' H ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -96.87 33.61 0.13 Allowed 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 123.662 2.908 . . . . 0.0 111.021 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -65.68 -61.44 2.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 69' ' ' ALA . 83.8 mt -56.1 -37.3 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.398 1.061 . . . . 0.0 110.683 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.72 -46.59 89.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.04 0.936 . . . . 0.0 111.595 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -31.55 67.93 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.688 0.795 . . . . 0.0 111.325 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 3' ' ' THR . 88.4 mt -77.89 -30.02 50.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -54.51 -47.59 97.35 Favored Pre-proline 0 N--CA 1.493 1.696 0 CA-C-O 118.058 -0.972 . . . . 0.0 113.463 -172.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.86 -31.62 91.83 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.162 1.908 . . . . 0.0 113.232 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 46' ' ' LEU . 28.4 mm -67.57 -44.67 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.939 0.495 . . . . 0.0 109.816 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 7' ' ' LEU . 6.1 m-85 -69.16 -38.58 78.83 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.247 0.619 . . . . 0.0 110.67 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.9 -23.42 64.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.867 0.467 . . . . 0.0 111.828 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -77.3 -58.17 3.42 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.399 0.679 . . . . 0.0 110.442 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LEU . 65.4 t -60.06 -52.41 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 111.941 -176.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -82.82 -11.15 58.48 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.42 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.47 80.63 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.179 0.991 . . . . 0.0 110.344 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -164.76 173.98 11.2 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.44 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -133.5 -27.51 1.53 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.785 0.834 . . . . 0.0 110.867 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -82.79 -16.01 49.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.664 0.786 . . . . 0.0 112.042 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -67.05 106.2 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.74 111.1 34.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 HG11 ' A' ' 65' ' ' VAL . 57.1 mt -64.31 130.38 43.59 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.199 0.312 . . . . 0.0 111.585 -169.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.4 p -125.48 167.42 15.04 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -66.48 -15.32 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.36 0.664 . . . . 0.0 112.234 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.01 -4.38 15.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.919 0.887 . . . . 0.0 112.331 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.1 m -58.67 134.03 56.43 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.581 0.352 . . . . 0.0 110.501 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.434 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 51.4 p -167.17 -170.72 1.57 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.602 0.761 . . . . 0.0 109.611 -173.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' HB3' ' O35' ' A' ' 88' ' ' PNS . . . -77.06 4.58 9.84 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 168.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -96.13 -39.71 9.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HB3' ' H ' ' A' ' 27' ' ' SER . 32.5 t70 -74.08 -33.8 63.78 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.183 172.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.4 mt -121.15 102.3 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.82 -25.96 68.41 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.452 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.96 -4.58 57.0 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.621 ' HE1' ' HD2' ' A' ' 39' ' ' HIS . 2.1 t90 -80.56 85.31 5.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.263 0.625 . . . . 0.0 110.211 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.31 161.15 28.98 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.804 168.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -69.38 -23.43 63.74 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.832 0.707 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -48.12 81.99 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.204 0.601 . . . . 0.0 109.538 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 m -73.86 -30.04 62.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.423 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' HD2' ' HE1' ' A' ' 34' ' ' TRP . 50.1 t-80 -62.62 -48.32 79.92 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 174.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mmm -67.32 -40.17 85.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.62 0.368 . . . . 0.0 110.43 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.99 -37.5 74.36 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.107 0.88 . . . . 0.0 110.766 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 11' ' ' PHE . 3.2 tm? -66.81 -52.59 42.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.413 0.685 . . . . 0.0 110.738 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.634 HG12 HD22 ' A' ' 59' ' ' LEU . 1.7 mp -61.22 -44.71 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.29 0.636 . . . . 0.0 111.043 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.21 -28.7 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 123.048 0.218 . . . . 0.0 111.57 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -63.79 -41.0 98.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.826 0.45 . . . . 0.0 110.757 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 10' ' ' ILE . 61.6 mt -64.61 -40.26 95.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.56 -54.05 45.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.706 0.802 . . . . 0.0 111.802 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.88 -38.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -66.48 -56.14 12.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.297 0.639 . . . . 0.0 111.841 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 76' ' ' LEU . 97.4 m-85 -87.89 -0.58 57.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 63.02 33.78 14.48 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.505 1.122 . . . . 0.0 110.336 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 20.7 pt -110.24 -175.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.97 0.908 . . . . 0.0 109.69 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.41 122.16 5.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.236 0.214 . . . . 0.0 110.432 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.597 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 82.6 m-85 -105.23 142.45 34.98 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.156 0.982 . . . . 0.0 108.534 171.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.79 152.51 20.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.582 0.753 . . . . 0.0 109.195 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.32 -35.33 62.57 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.375 1.07 . . . . 0.0 112.545 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.39 99.47 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.321 0.388 . . . . 0.0 112.462 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.05 -30.26 70.28 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.949 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 43' ' ' ILE . 29.9 mt -67.84 -37.93 82.53 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.966 0.506 . . . . 0.0 110.48 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -69.78 -8.53 48.93 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.256 0.622 . . . . 0.0 112.097 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -97.6 -9.88 26.14 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.388 0.675 . . . . 0.0 110.684 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD21 ' HG ' ' A' ' 71' ' ' LEU . 88.5 mt -82.28 85.94 6.76 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HA ' H381 ' A' ' 88' ' ' PNS . 57.6 tttm -80.85 -32.49 35.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.09 0.472 . . . . 0.0 110.459 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -141.41 173.51 11.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.323 1.049 . . . . 0.0 109.509 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 22' ' ' LEU . 31.4 t -74.16 -12.33 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.032 0.933 . . . . 0.0 110.522 174.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.07 91.25 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.9 -38.19 88.08 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.217 0.607 . . . . 0.0 110.384 172.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.74 -33.83 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.604 0.362 . . . . 0.0 111.243 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -59.07 -51.81 68.45 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 4.3 m-20 -62.82 -51.8 65.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.639 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.597 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.4 mm? -61.04 -53.78 52.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.848 0.859 . . . . 0.0 111.332 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 96.9 t -57.22 -40.68 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.014 0.526 . . . . 0.0 110.444 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.52 -37.95 82.82 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.891 0.476 . . . . 0.0 111.763 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 73.0 mmtt -69.45 -39.07 78.0 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.378 0.424 . . . . 0.0 110.284 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.3 mmtt -70.72 -38.2 73.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.248 0.619 . . . . 0.0 110.631 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 57.3 mt -75.84 -26.32 57.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.415 0.686 . . . . 0.0 110.805 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.74 87.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.841 0.457 . . . . 0.0 109.855 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.5 mmm180 -69.45 -28.0 65.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.19 0.596 . . . . 0.0 110.681 173.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.5 -4.48 19.04 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.958 0.903 . . . . 0.0 113.149 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.36 60.31 0.44 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.756 0.788 . . . . 0.0 109.554 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -158.9 142.19 14.78 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 -170.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -59.33 -65.39 0.68 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.806 0.843 . . . . 0.0 111.391 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -171.97 -58.97 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.7 m80 57.12 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.546 1.138 . . . . 0.0 111.123 -161.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -78.26 78.48 4.73 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.308 0.643 . . . . 0.0 111.314 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -153.32 63.21 0.75 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.465 1.106 . . . . 0.0 108.125 168.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--O 1.247 0.929 0 C-N-CA 124.978 1.311 . . . . 0.0 108.335 175.898 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.548 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -90.62 26.35 0.49 Allowed 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.232 1.954 . . . . 0.0 112.666 -174.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 17.0 m -74.63 -51.9 13.17 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.158 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 69' ' ' ALA . 85.0 mt -57.72 -42.2 83.3 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.688 0.395 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -55.01 -50.39 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.058 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.29 89.26 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.8 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 46' ' ' LEU . 72.6 mt -75.0 -27.07 60.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.175 0.59 . . . . 0.0 111.416 -175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.457 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 95.8 m -56.07 -50.98 84.24 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.698 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.1 Cg_exo -59.5 -28.86 88.56 Favored 'Trans proline' 0 C--N 1.394 2.923 0 C-N-CA 122.411 2.074 . . . . 0.0 113.723 172.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.59 HG21 HD23 ' A' ' 46' ' ' LEU . 14.3 mm -71.02 -42.66 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.56 -47.01 77.31 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.322 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.53 -20.88 65.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.36 0.664 . . . . 0.0 112.131 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.5 -59.42 2.73 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.322 0.649 . . . . 0.0 110.291 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.2 t -58.12 -54.31 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.597 1.159 . . . . 0.0 112.04 -173.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.98 -23.04 28.9 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.985 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.16 82.96 0.14 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.77 1.228 . . . . 0.0 110.347 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.64 166.73 26.38 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 -171.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.75 -24.49 7.17 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.734 0.813 . . . . 0.0 110.192 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 m -80.38 -8.55 59.56 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.914 0.886 . . . . 0.0 111.455 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.89 99.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.33 96.91 4.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 65' ' ' VAL . 92.7 mt -66.24 136.63 56.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.944 -167.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -134.32 172.76 12.43 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -62.54 -41.77 99.1 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.86 0.5 57.47 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 65' ' ' VAL . 91.6 m -58.08 98.91 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.416 0.686 . . . . 0.0 112.069 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -95.09 172.64 8.01 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.369 0.604 . . . . 0.0 110.883 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -22.69 62.46 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.263 166.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -78.81 -31.08 45.73 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.526 0.73 . . . . 0.0 110.197 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.37 -30.29 67.17 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.995 0.918 . . . . 0.0 111.166 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.5 107.4 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.06 -36.96 78.47 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.252 0.621 . . . . 0.0 110.694 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.53 -16.95 64.19 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.069 0.948 . . . . 0.0 112.916 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -91.39 63.52 4.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.332 0.653 . . . . 0.0 110.424 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.48 163.51 27.89 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.742 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -46.29 -40.7 12.09 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.66 1.184 . . . . 0.0 112.407 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 37' ' ' LEU . 2.3 mm? -64.42 -44.8 90.06 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.789 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -69.78 -28.66 65.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.652 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HE1' H421 ' A' ' 88' ' ' PNS . 68.9 m-70 -59.49 -46.58 88.4 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.45 0.7 . . . . 0.0 110.551 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.1 mmm -58.31 -45.73 87.47 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.622 0.576 . . . . 0.0 110.886 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -67.43 -38.85 85.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.411 0.684 . . . . 0.0 111.427 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -64.03 -50.75 67.24 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.682 0.793 . . . . 0.0 110.968 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.7 mp -65.23 -45.74 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.905 0.882 . . . . 0.0 110.633 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.36 -25.86 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 118.009 0.368 . . . . 0.0 111.83 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -68.73 -38.86 80.49 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.807 0.443 . . . . 0.0 110.971 171.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.59 HD23 HG21 ' A' ' 10' ' ' ILE . 81.7 mt -63.16 -37.09 85.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 44.1 mt-10 -67.8 -49.32 62.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.495 0.718 . . . . 0.0 111.678 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -38.03 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -64.94 -58.35 6.36 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.657 0.383 . . . . 0.0 111.631 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -90.04 -4.33 57.45 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.033 0.533 . . . . 0.0 112.397 -171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.63 47.46 22.55 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.396 1.078 . . . . 0.0 110.547 -175.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.48 156.8 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.948 0.899 . . . . 0.0 109.765 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -111.8 116.2 30.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.051 0.94 . . . . 0.0 108.534 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -95.61 126.48 40.92 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.87 148.76 21.83 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.96 -35.6 69.32 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.099 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -57.54 -49.93 69.35 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.829 0.705 . . . . 0.0 112.483 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.26 -35.72 76.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.919 0.888 . . . . 0.0 111.46 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.75 -36.89 81.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.487 0.715 . . . . 0.0 111.621 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -73.96 -21.12 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.734 0.414 . . . . 0.0 111.367 174.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 28.8 mmmt -80.87 -11.14 59.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.515 0.326 . . . . 0.0 111.303 174.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 ' O ' H381 ' A' ' 88' ' ' PNS . 76.5 mt -79.11 139.29 38.1 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -120.38 -36.77 3.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.839 0.856 . . . . 0.0 109.301 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -177.11 6.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.894 0.877 . . . . 0.0 110.827 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 22' ' ' LEU . 20.7 t -71.49 -15.59 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.216 0.606 . . . . 0.0 111.243 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.78 -32.19 73.82 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 171.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -68.36 -41.08 81.15 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.83 -28.69 69.73 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.135 0.574 . . . . 0.0 111.42 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -65.49 -52.04 55.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.59 0.709 . . . . 0.0 109.455 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 22.9 t70 -64.93 -46.75 80.33 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.967 -1.469 . . . . 0.0 110.223 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.23 -53.07 18.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.955 1.302 . . . . 0.0 111.614 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG11 HD21 ' A' ' 7' ' ' LEU . 49.4 t -66.35 -27.17 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 117.913 0.324 . . . . 0.0 110.61 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.66 -30.28 65.55 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 72.8 mmtt -67.49 -35.0 78.3 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.1 mmtt -63.81 -46.9 83.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.206 0.602 . . . . 0.0 109.776 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.15 -26.7 66.79 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.7 0.8 . . . . 0.0 110.901 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 -19.78 58.26 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.234 1.014 . . . . 0.0 110.822 175.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 25.7 mmm180 -85.7 -28.7 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.179 0.592 . . . . 0.0 110.808 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.8 mmtt -70.36 -75.97 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 50.88 -73.3 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 125.017 1.327 . . . . 0.0 113.787 -171.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.93 -45.71 86.14 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.216 1.006 . . . . 0.0 112.782 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -68.56 91.92 0.44 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -81.14 130.48 35.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.329 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -76.05 -22.65 55.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.597 0.759 . . . . 0.0 110.83 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -131.45 137.79 48.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.049 0.939 . . . . 0.0 108.923 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -71.86 106.35 4.16 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 CA--C 1.559 1.305 0 C-N-CA 124.611 1.164 . . . . 0.0 110.039 -175.301 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.613 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.556 1.193 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -82.63 27.56 0.6 Allowed 'Trans proline' 0 C--N 1.395 2.978 0 C-N-CA 122.308 2.005 . . . . 0.0 113.895 -168.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -58.69 3.12 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.98 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD23 HD12 ' A' ' 7' ' ' LEU . 87.8 mt -53.06 -36.42 60.6 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.901 0.88 . . . . 0.0 112.534 -173.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.13 -54.28 38.05 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.639 1.176 . . . . 0.0 110.823 172.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.46 -26.42 60.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.405 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 4' ' ' LEU . 67.7 mt -76.96 -29.84 55.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.505 0.722 . . . . 0.0 110.972 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 92.2 m -53.21 -51.62 73.59 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.596 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.4 Cg_exo -59.05 -33.01 98.47 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 122.302 2.001 . . . . 0.0 113.225 173.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.9 -55.21 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.949 0.5 . . . . 0.0 110.375 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -42.95 88.91 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.697 0.799 . . . . 0.0 110.595 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -64.42 -25.26 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.733 0.413 . . . . 0.0 111.885 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -79.46 -52.07 8.52 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.307 0.503 . . . . 0.0 110.515 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 42' ' ' LEU . 77.2 t -56.77 -51.44 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.811 1.245 . . . . 0.0 112.158 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.76 -17.89 39.66 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.887 0.475 . . . . 0.0 111.361 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t70 62.21 77.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.897 1.279 . . . . 0.0 110.458 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -161.07 176.83 10.92 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.117 -172.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -136.05 -22.21 1.39 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.541 0.736 . . . . 0.0 111.051 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 m -89.55 -3.14 58.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.693 0.797 . . . . 0.0 111.317 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.88 104.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.5 101.19 12.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD22 HG11 ' A' ' 65' ' ' VAL . 93.4 mt -74.97 140.53 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.057 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -136.3 173.0 12.19 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -78.74 7.86 6.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.199 0.6 . . . . 0.0 111.575 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -126.98 -7.23 6.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.861 0.864 . . . . 0.0 111.807 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 64' ' ' ASN . 96.8 m -58.88 127.45 32.29 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.102 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.9 p -136.64 -172.53 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.853 0.861 . . . . 0.0 110.524 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.578 ' HB2' H422 ' A' ' 88' ' ' PNS . . . -56.86 -18.09 11.8 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 168.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.81 -42.27 86.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.004 0.521 . . . . 0.0 110.384 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.18 -28.6 31.98 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.745 0.818 . . . . 0.0 110.395 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -117.29 88.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.61 -28.4 67.15 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.672 0.789 . . . . 0.0 111.878 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.17 60.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.586 1.154 . . . . 0.0 112.841 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -74.39 118.54 17.46 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.3 0.572 . . . . 0.0 110.003 -176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -120.56 -179.25 3.92 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.949 1.7 . . . . 0.0 107.961 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.0 m -74.56 -18.87 60.52 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.95 -0.469 . . . . 0.0 111.605 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.29 -36.77 61.12 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 169.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.33 -35.28 79.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.724 0.409 . . . . 0.0 110.632 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.89 -52.45 49.7 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.58 0.752 . . . . 0.0 110.239 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.4 mmm -65.57 -44.56 86.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 -174.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -60.1 -49.34 78.05 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.788 0.68 . . . . 0.0 110.618 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.1 tm? -64.62 -45.22 87.81 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.429 1.091 . . . . 0.0 110.992 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.5 mp -69.6 -44.53 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.691 0.797 . . . . 0.0 111.249 -174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.65 -28.4 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.969 0.35 . . . . 0.0 110.949 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.1 m -63.74 -41.26 98.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.285 0.634 . . . . 0.0 110.605 171.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 52' ' ' ILE . 88.3 mt -66.35 -39.2 89.03 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 51.4 mt-10 -67.83 -45.99 73.09 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.253 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -74.81 -39.3 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -70.74 -55.64 8.17 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.011 0.524 . . . . 0.0 111.577 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HB3' HD21 ' A' ' 76' ' ' LEU . 84.0 m-85 -88.68 -6.78 57.24 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.348 0.659 . . . . 0.0 112.269 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.31 22.33 9.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.076 0.95 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 46' ' ' LEU . 21.4 pt -98.18 -174.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.777 0.831 . . . . 0.0 109.11 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -149.05 125.66 11.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.875 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -109.25 136.36 48.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -98.05 164.1 12.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.26 -28.03 66.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.026 0.531 . . . . 0.0 109.901 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -39.9 98.06 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.324 0.39 . . . . 0.0 112.893 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.9 mm-40 -66.66 -39.19 88.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.125 0.57 . . . . 0.0 110.0 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 62' ' ' LEU . 3.9 mm? -60.43 -36.68 78.77 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.447 1.099 . . . . 0.0 111.672 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.3 -35.43 79.03 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.223 0.609 . . . . 0.0 111.502 171.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -77.41 -14.46 59.7 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.096 0.558 . . . . 0.0 111.485 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 81.1 mt -87.23 95.58 10.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.307 0.643 . . . . 0.0 109.712 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -100.69 -15.09 17.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.067 175.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 66' ' ' GLY . 6.7 p-10 -164.84 174.56 10.49 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.968 0.413 . . . . 0.0 111.228 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HD22 ' A' ' 22' ' ' LEU . 59.2 t -62.99 -21.73 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 124.999 1.319 . . . . 0.0 111.876 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 64' ' ' ASN . . . -68.4 -32.76 75.98 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.068 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.68 -41.07 84.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.216 -0.421 . . . . 0.0 109.99 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.0 -38.62 86.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 117.855 0.298 . . . . 0.0 110.498 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.932 0.493 . . . . 0.0 110.13 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.35 -58.09 7.47 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.287 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.91 -48.6 78.26 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.617 0.573 . . . . 0.0 111.724 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.82 -41.44 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 122.977 0.511 . . . . 0.0 110.511 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.25 -39.98 93.39 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -67.97 -37.98 82.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.045 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -77.53 -27.79 51.78 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 50' ' ' TYR . 58.2 mt -76.7 -23.73 53.14 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.737 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.961 0.504 . . . . 0.0 110.246 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -73.62 -33.76 64.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.425 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 76' ' ' LEU . 5.5 mmtm -83.65 -9.19 59.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.738 0.815 . . . . 0.0 112.086 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.98 122.65 16.0 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.93 137.17 27.24 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 124.769 1.293 . . . . 0.0 111.357 -165.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -55.66 -35.61 66.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.018 1.327 . . . . 0.0 112.93 -170.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -75.57 119.09 19.14 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -72.34 -18.79 61.73 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.881 0.472 . . . . 0.0 111.106 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -70.46 78.22 0.56 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.994 0.917 . . . . 0.0 110.731 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -156.93 166.44 33.35 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.8 1.64 . . . . 0.0 108.642 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 . . . . . 0 C--O 1.252 1.185 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.578 H422 ' HB2' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 61.8 mtt . . . . . 0 CA--C 1.562 1.415 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 20.6 Cg_endo -98.2 38.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.396 3.067 0 C-N-CA 122.856 2.371 . . . . 0.0 111.859 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.657 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 3.1 p -54.55 -75.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.062 0.945 . . . . 0.0 113.492 -166.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -77.17 -34.93 56.26 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.859 0.754 . . . . 0.0 110.45 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.3 -54.96 24.81 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 125.224 1.409 . . . . 0.0 112.272 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.17 -24.09 57.82 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.72 -175.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 3' ' ' THR . 28.4 mt -77.87 -27.8 49.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.192 -0.432 . . . . 0.0 112.109 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -58.07 -47.29 99.12 Favored Pre-proline 0 CA--C 1.574 1.894 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.818 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.45 -29.48 62.24 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 122.132 1.888 . . . . 0.0 113.117 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.24 -55.98 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.1 -43.73 86.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.044 0.938 . . . . 0.0 110.318 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -57.88 -35.85 71.57 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.472 0.309 . . . . 0.0 111.194 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -71.23 -51.84 22.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.671 0.388 . . . . 0.0 111.24 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 42' ' ' LEU . 61.4 t -54.0 -53.33 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.603 1.161 . . . . 0.0 112.258 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -83.06 -11.93 57.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.989 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.0 t70 63.11 71.13 0.52 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.691 1.196 . . . . 0.0 109.481 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -157.43 173.04 17.51 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.487 -166.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -141.5 -25.52 0.7 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.028 0.931 . . . . 0.0 110.642 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.6 m -70.28 -20.81 63.02 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.825 0.85 . . . . 0.0 111.495 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.23 114.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.856 0.862 . . . . 0.0 111.475 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -120.72 110.7 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 65' ' ' VAL . 90.0 mt -78.43 140.36 38.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.051 0.453 . . . . 0.0 111.948 -170.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -129.19 167.76 17.15 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -66.58 -18.54 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.972 0.509 . . . . 0.0 112.13 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -114.36 8.62 16.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -63.46 134.12 55.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.91 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 p -155.08 174.88 14.56 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.294 0.497 . . . . 0.0 111.881 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.65 91.91 5.96 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 172.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 156.2 -60.72 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 -150.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.89 -19.45 54.72 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.934 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.67 137.48 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.003 0.921 . . . . 0.0 109.661 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.02 -41.54 14.75 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.899 0.879 . . . . 0.0 110.741 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.67 60.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.115 0.966 . . . . 0.0 112.962 -173.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -91.82 75.2 5.69 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.071 0.948 . . . . 0.0 109.604 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -77.73 173.29 12.23 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.049 0.539 . . . . 0.0 110.561 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -64.11 -36.22 83.32 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.199 0.6 . . . . 0.0 111.816 -172.159 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.65 -27.57 65.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.857 0.463 . . . . 0.0 111.015 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -71.42 -31.64 67.46 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.067 0.547 . . . . 0.0 111.209 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' HE1' H421 ' A' ' 88' ' ' PNS . 79.7 m-70 -64.62 -41.3 96.28 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 122.597 0.359 . . . . 0.0 110.606 170.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -58.74 -47.7 83.73 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.4 0.438 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.75 -37.73 88.6 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.842 0.714 . . . . 0.0 110.97 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.9 tm? -61.92 -54.56 40.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.828 0.851 . . . . 0.0 111.346 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 59' ' ' LEU . 1.7 mp -65.46 -44.89 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.577 0.751 . . . . 0.0 110.561 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 m -67.19 -29.46 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.302 0.501 . . . . 0.0 111.846 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -62.8 -42.71 99.83 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.918 0.487 . . . . 0.0 110.403 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.03 -43.67 94.88 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.749 0.419 . . . . 0.0 110.58 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.5 -44.1 97.21 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.399 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.18 -42.51 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -63.11 -54.32 39.76 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.294 0.638 . . . . 0.0 111.927 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -88.56 -4.1 58.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.113 0.565 . . . . 0.0 112.012 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 59.63 41.2 19.11 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.9 0.88 . . . . 0.0 110.837 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.7 pt -113.3 -174.03 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.1 0.96 . . . . 0.0 110.305 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -160.84 132.9 5.92 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -107.84 150.79 26.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.617 0.767 . . . . 0.0 109.725 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.26 147.21 24.25 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -28.12 69.64 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.093 0.557 . . . . 0.0 109.709 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -40.25 95.69 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 68.2 mt-10 -70.24 -33.1 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.368 0.667 . . . . 0.0 110.723 176.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -57.76 -38.88 76.17 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.009 0.924 . . . . 0.0 111.305 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -67.17 -20.98 65.81 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.133 0.573 . . . . 0.0 112.128 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -96.01 -13.48 23.74 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.081 0.952 . . . . 0.0 111.674 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 95.2 mt -81.06 88.23 5.98 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -88.71 -29.04 20.15 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.155 0.582 . . . . 0.0 109.607 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -139.45 173.95 11.01 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.49 0.662 . . . . 0.0 111.832 -176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 22' ' ' LEU . 58.8 t -60.68 -31.9 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.899 1.28 . . . . 0.0 110.745 168.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.73 90.06 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.56 0.538 . . . . 0.0 112.085 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.3 -43.6 81.32 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 110.255 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.276 0.36 . . . . 0.0 110.31 171.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.02 -38.56 86.52 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.944 0.898 . . . . 0.0 110.559 -176.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.7 t70 -66.02 -51.93 53.87 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.45 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 3.9 mm? -67.95 -49.54 61.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.147 0.579 . . . . 0.0 111.879 -174.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 68' ' ' LEU . 95.0 t -50.03 -45.18 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.731 1.213 . . . . 0.0 110.835 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.1 t70 -70.5 -30.22 66.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.154 0.582 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 43.8 mmtm -65.04 -37.57 88.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 70.8 mmtt -72.23 -39.65 68.34 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.267 0.627 . . . . 0.0 109.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 73' ' ' ASP . 70.5 mt -61.32 -36.4 80.02 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.084 0.954 . . . . 0.0 110.661 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.568 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -67.87 -32.11 72.39 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.393 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.6 mmt180 -72.11 -25.83 61.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.925 0.49 . . . . 0.0 110.472 173.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -79.24 -7.55 58.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.521 0.728 . . . . 0.0 112.429 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 77' ' ' ALA . 2.1 mm? -58.37 93.83 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.954 0.784 . . . . 0.0 110.142 178.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.53 140.26 38.56 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.211 -171.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -59.13 -49.03 79.43 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.75 0.82 . . . . 0.0 112.013 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -178.45 137.16 0.16 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.547 1.139 . . . . 0.0 108.964 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -86.04 -170.1 2.94 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.881 0.872 . . . . 0.0 109.519 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.35 -56.99 2.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.546 0.739 . . . . 0.0 110.209 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 123.259 0.624 . . . . 0.0 109.353 -175.7 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.624 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -84.41 40.37 0.86 Allowed 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.804 2.336 . . . . 0.0 112.245 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.651 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 21.9 p -62.98 -72.31 0.14 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.888 0.875 . . . . 0.0 111.281 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.13 -29.26 43.07 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.94 0.496 . . . . 0.0 110.826 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -57.03 -51.53 68.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.197 0.999 . . . . 0.0 111.616 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.2 75.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.355 0.662 . . . . 0.0 111.645 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 72' ' ' VAL . 69.2 mt -73.7 -34.09 64.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.19 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.447 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 45.9 m -49.75 -52.9 47.22 Favored Pre-proline 0 CA--C 1.571 1.773 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -174.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.447 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 31.8 Cg_exo -62.88 -31.31 77.7 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 122.37 2.047 . . . . 0.0 112.923 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mm -69.17 -44.82 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.402 0.681 . . . . 0.0 110.236 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.05 -49.72 59.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.393 0.677 . . . . 0.0 110.505 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.08 -21.63 66.6 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.402 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -80.64 -56.89 3.85 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.022 0.529 . . . . 0.0 110.796 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.54 -52.32 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.244 1.018 . . . . 0.0 111.566 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -82.37 -12.21 58.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.206 0.602 . . . . 0.0 111.252 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 64.08 32.42 12.8 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.215 1.007 . . . . 0.0 110.466 172.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.04 118.38 14.64 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.037 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.89 -16.28 55.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.768 0.827 . . . . 0.0 111.581 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 m -66.39 -17.52 64.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.03 0.532 . . . . 0.0 111.251 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.15 112.88 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.298 1.039 . . . . 0.0 110.896 173.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.48 112.11 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.606 HD22 HG11 ' A' ' 65' ' ' VAL . 90.1 mt -80.27 140.69 36.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.499 0.72 . . . . 0.0 112.138 -168.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -129.51 177.43 7.21 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.646 1.178 . . . . 0.0 108.167 170.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 94.7 mtt180 -68.82 -12.69 61.79 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.296 0.638 . . . . 0.0 111.912 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -119.63 -3.15 10.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.001 0.921 . . . . 0.0 112.488 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -64.87 142.62 58.37 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 169.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -161.05 -170.22 2.62 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.613 0.642 . . . . 0.0 111.28 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.05 -27.61 54.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.437 1.095 . . . . 0.0 112.948 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.7 -36.85 83.48 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.421 1.089 . . . . 0.0 111.961 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -85.16 -15.5 43.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.56 0.744 . . . . 0.0 112.986 -170.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -120.08 110.63 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.536 0.734 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.52 -4.06 37.67 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -79.1 80.8 5.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.521 0.728 . . . . 0.0 110.478 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.15 173.68 9.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.935 0.494 . . . . 0.0 111.219 164.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.474 ' HA ' H282 ' A' ' 88' ' ' PNS . 0.7 OUTLIER -59.11 -37.74 77.91 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.335 170.499 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.15 -45.59 91.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.601 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -68.38 -35.06 77.14 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.237 1.015 . . . . 0.0 110.881 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -60.25 -44.29 95.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.517 1.127 . . . . 0.0 110.133 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.7 mmm -68.6 -38.08 80.34 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.993 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -58.86 -42.1 88.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 123.345 0.403 . . . . 0.0 110.461 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -51.35 66.24 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 110.71 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.93 -45.76 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.857 -176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.4 -27.94 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 118.112 0.415 . . . . 0.0 111.889 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.18 -44.28 92.5 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.888 0.475 . . . . 0.0 110.726 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.15 -35.14 80.15 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.666 0.386 . . . . 0.0 111.652 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.3 mm-40 -58.76 -58.41 8.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.057 0.943 . . . . 0.0 110.852 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.55 -38.47 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.088 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -62.47 -61.52 2.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.433 0.693 . . . . 0.0 111.956 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -93.3 -0.18 56.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.581 0.752 . . . . 0.0 112.132 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.29 34.31 18.63 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.282 1.033 . . . . 0.0 110.839 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.4 pt -106.32 177.53 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.585 0.754 . . . . 0.0 110.189 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -141.98 107.33 5.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -83.45 132.71 34.95 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.64 143.28 26.94 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 3.0 tm? -57.28 -35.97 70.45 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.505 0.722 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.93 -39.92 97.65 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.605 0.565 . . . . 0.0 112.446 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 50.4 mt-10 -64.39 -38.66 91.82 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.34 0.656 . . . . 0.0 110.264 175.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.04 -33.38 75.66 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.147 0.579 . . . . 0.0 111.394 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.2 mm-40 -69.14 -24.09 64.04 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.114 0.566 . . . . 0.0 111.573 172.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -85.95 -1.86 57.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 40.4 mt -103.81 115.74 31.03 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.586 ' HA ' H381 ' A' ' 88' ' ' PNS . 1.2 tmtp? -101.53 -29.99 11.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.048 0.539 . . . . 0.0 109.652 177.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -130.91 168.88 16.58 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.616 0.722 . . . . 0.0 110.765 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.606 HG11 HD22 ' A' ' 22' ' ' LEU . 59.3 t -60.53 -29.65 45.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.27 170.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 24' ' ' ARG . . . -67.59 -37.97 89.95 Favored Glycine 0 C--N 1.347 1.175 0 O-C-N 123.487 0.492 . . . . 0.0 112.536 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.91 -47.79 73.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.136 0.574 . . . . 0.0 109.701 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 72' ' ' VAL . 59.4 tp -60.63 -35.53 76.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.857 0.863 . . . . 0.0 111.232 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.651 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -69.68 -44.1 71.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.716 1.206 . . . . 0.0 110.593 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.8 t70 -58.67 -41.65 86.65 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.225 173.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -42.98 71.43 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.373 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 7' ' ' LEU . 89.6 t -58.63 -41.37 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.279 0.632 . . . . 0.0 110.284 173.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' HB2' HG22 ' A' ' 3' ' ' THR . 23.1 t70 -62.3 -36.11 81.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.131 0.972 . . . . 0.0 111.313 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 30.1 mmtm -66.82 -39.31 87.63 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.39 -42.91 78.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.233 0.613 . . . . 0.0 110.784 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.37 -28.63 68.11 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.317 0.647 . . . . 0.0 110.491 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.167 0.587 . . . . 0.0 110.806 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.619 ' HA ' ' HG2' ' A' ' 81' ' ' GLU . 24.2 mmm180 -75.35 -16.52 60.38 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.127 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -73.77 -29.16 62.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.233 0.613 . . . . 0.0 110.717 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.4 16.26 12.17 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 122.739 0.416 . . . . 0.0 111.237 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.619 ' HG2' ' HA ' ' A' ' 78' ' ' ARG . 40.5 mm-40 -68.8 -42.91 76.67 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 0.0 110.774 169.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -73.39 96.12 2.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -79.14 84.49 5.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.865 0.866 . . . . 0.0 110.948 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.96 145.57 25.95 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.774 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -74.06 120.66 19.94 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -71.77 -19.05 62.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.531 0.732 . . . . 0.0 110.718 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 CA--C 1.553 1.08 0 C-N-CA 124.018 0.927 . . . . 0.0 109.472 171.808 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.586 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mtp . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 5' ' ' ASP . 42.3 Cg_endo -88.25 41.55 0.64 Allowed 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 123.494 2.796 . . . . 0.0 112.314 -175.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 18.9 p -70.52 -76.8 0.1 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.427 0.691 . . . . 0.0 111.463 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.46 -28.95 33.93 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 23.1 t70 -51.76 -62.19 1.78 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.493 1.517 . . . . 0.0 111.995 -176.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . -77.24 -26.68 52.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.161 -173.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 72' ' ' VAL . 52.4 mt -67.48 -32.9 74.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.576 0.35 . . . . 0.0 111.49 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -57.76 -48.4 97.25 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.033 -0.984 . . . . 0.0 113.11 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 6' ' ' ALA . 77.3 Cg_exo -54.13 -41.18 77.85 Favored 'Trans proline' 0 C--N 1.404 3.455 0 C-N-CA 122.976 2.451 . . . . 0.0 113.429 171.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.3 -54.22 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.161 0.584 . . . . 0.0 110.369 -176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.9 -44.8 84.17 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.717 0.807 . . . . 0.0 110.421 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.36 -31.9 70.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.668 0.387 . . . . 0.0 111.734 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -76.85 -55.57 5.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 117.798 0.272 . . . . 0.0 111.175 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -54.58 -48.24 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.817 0.847 . . . . 0.0 111.595 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -83.95 -18.77 36.19 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.76 81.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.401 1.08 . . . . 0.0 109.271 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.86 172.14 15.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.382 -168.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -138.53 -19.45 1.07 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.099 0.96 . . . . 0.0 110.668 -176.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 m -83.62 -9.46 58.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.274 1.03 . . . . 0.0 112.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.78 103.19 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-O 121.281 0.563 . . . . 0.0 110.308 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.1 85.45 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.02 135.75 56.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.477 -1.238 . . . . 0.0 113.183 -168.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -118.72 179.59 4.09 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -68.41 -43.28 77.58 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.16 -4.35 50.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 m -60.15 141.21 56.27 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 79.9 p -166.1 179.72 5.6 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.35 0.66 . . . . 0.0 109.749 -172.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' H301 ' A' ' 88' ' ' PNS . . . -74.42 -7.71 53.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.348 0.659 . . . . 0.0 111.79 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.53 -42.03 17.28 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 168.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . 33.8 t70 -78.24 -17.69 56.37 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.688 1.195 . . . . 0.0 111.13 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 mt -121.7 108.37 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.99 -31.73 69.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.623 0.769 . . . . 0.0 111.077 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.45 -2.97 57.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.479 0.712 . . . . 0.0 112.278 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -82.96 76.03 9.82 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.36 167.99 0.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.388 1.475 . . . . 0.0 111.467 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -44.61 95.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.625 0.77 . . . . 0.0 109.625 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.0 -11.4 59.57 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.862 0.865 . . . . 0.0 111.759 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.2 m -66.05 -33.51 75.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -55.59 -40.59 72.21 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 123.842 0.713 . . . . 0.0 111.599 169.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.54 -32.58 70.46 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.083 0.401 . . . . 0.0 111.077 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -69.16 -36.49 77.43 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.493 0.717 . . . . 0.0 110.722 173.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.0 mm? -64.03 -52.91 57.21 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.13 0.572 . . . . 0.0 110.219 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -57.31 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.345 1.058 . . . . 0.0 110.338 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.4 -36.17 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 123.592 0.557 . . . . 0.0 111.741 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -65.77 -46.59 78.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.879 0.471 . . . . 0.0 111.262 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 80.0 mt -65.89 -40.41 91.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.978 0.418 . . . . 0.0 110.586 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.37 -53.04 62.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.704 0.802 . . . . 0.0 111.673 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.49 -41.9 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -66.18 -49.56 66.91 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.33 0.652 . . . . 0.0 111.466 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB3' HD21 ' A' ' 76' ' ' LEU . 75.1 m-85 -86.26 -11.96 50.89 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.261 0.625 . . . . 0.0 112.098 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.81 26.18 11.24 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 19.7 pt -95.72 174.74 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.231 0.612 . . . . 0.0 110.104 -172.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.94 110.27 7.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 2.1 p90 -128.25 156.95 42.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.583 0.753 . . . . 0.0 110.347 167.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.78 143.25 31.16 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.266 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.43 -26.67 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.87 -176.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.14 -42.43 95.2 Favored Glycine 0 CA--C 1.537 1.446 0 O-C-N 123.033 0.208 . . . . 0.0 112.842 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.551 0.74 . . . . 0.0 110.24 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.793 HD13 HD12 ' A' ' 62' ' ' LEU . 3.2 mm? -65.58 -34.81 79.1 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.727 0.811 . . . . 0.0 112.083 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -61.85 -24.57 66.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.131 0.573 . . . . 0.0 112.192 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.95 -11.97 42.9 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.663 0.785 . . . . 0.0 111.602 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 59' ' ' LEU . 38.1 mt -88.34 98.27 11.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HA ' H381 ' A' ' 88' ' ' PNS . 0.3 OUTLIER -86.16 -23.28 26.6 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.554 1.142 . . . . 0.0 110.805 -171.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.44 174.79 13.92 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.573 0.349 . . . . 0.0 110.986 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 88.5 t -73.13 -10.71 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.334 1.054 . . . . 0.0 110.754 -175.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.42 -39.36 87.36 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.578 ' HB3' HD22 ' A' ' 62' ' ' LEU . 61.2 m-20 -66.41 -43.32 86.05 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 123.042 0.537 . . . . 0.0 109.87 172.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.0 mm? -63.66 -38.61 91.75 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.152 0.581 . . . . 0.0 111.775 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.03 -52.46 64.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.058 0.543 . . . . 0.0 109.84 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 29.5 t70 -59.83 -51.62 68.95 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.145 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.648 ' HG ' HD11 ' A' ' 62' ' ' LEU . 1.9 tm? -56.32 -59.05 5.52 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.163 1.385 . . . . 0.0 111.905 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 77.6 t -57.96 -37.58 61.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.878 0.871 . . . . 0.0 110.504 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.38 -36.8 79.7 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.125 0.57 . . . . 0.0 111.591 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 2.5 mmmp? -63.49 -41.0 98.56 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.71 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 73.1 mmtt -70.3 -38.46 74.97 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.536 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 50' ' ' TYR . 69.8 mt -69.21 -29.44 67.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.65 0.78 . . . . 0.0 111.321 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.26 81.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.159 0.584 . . . . 0.0 110.019 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -69.91 -24.85 63.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.258 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.13 -10.51 59.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.253 0.621 . . . . 0.0 112.058 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.85 85.23 0.08 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.366 0.603 . . . . 0.0 110.167 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.54 148.0 33.02 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -67.88 -19.03 64.98 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.201 0.6 . . . . 0.0 111.302 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 66.01 96.75 0.05 Allowed 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.238 1.415 . . . . 0.0 109.417 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.77 142.9 56.08 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.295 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -87.49 42.32 1.03 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.921 0.889 . . . . 0.0 110.66 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -111.4 -20.25 12.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.011 1.324 . . . . 0.0 109.6 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.3 t60 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.342 1.457 . . . . 0.0 110.075 -174.215 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.539 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 23.2 ttt . . . . . 0 CA--C 1.562 1.411 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 18.7 Cg_endo -96.56 33.7 0.14 Allowed 'Trans proline' 0 C--N 1.391 2.792 0 C-N-CA 122.527 2.151 . . . . 0.0 111.461 -176.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 73' ' ' ASP . 68.7 p -64.36 -75.85 0.08 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.746 0.819 . . . . 0.0 113.1 -163.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.31 -38.24 86.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.576 0.75 . . . . 0.0 109.86 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.0 -50.5 72.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.58 1.175 . . . . 0.0 111.526 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.54 79.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.522 0.729 . . . . 0.0 110.842 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 72' ' ' VAL . 93.7 mt -66.96 -35.34 79.74 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.379 0.672 . . . . 0.0 110.998 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -53.6 -50.49 82.98 Favored Pre-proline 0 CA--C 1.576 1.961 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -171.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.34 -29.45 72.5 Favored 'Trans proline' 0 C--N 1.396 3.028 0 C-N-CA 122.426 2.084 . . . . 0.0 112.666 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.79 -46.4 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.312 0.645 . . . . 0.0 110.11 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -71.45 -45.12 63.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 0.0 110.005 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.69 -32.59 69.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.048 0.539 . . . . 0.0 112.01 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.26 -60.67 2.56 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.629 0.772 . . . . 0.0 110.289 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 42' ' ' LEU . 54.0 t -59.63 -47.88 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.834 1.254 . . . . 0.0 112.3 -171.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -88.23 -8.4 55.32 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.814 0.445 . . . . 0.0 111.43 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.19 52.39 2.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.554 1.141 . . . . 0.0 110.376 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -154.25 116.54 4.31 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.266 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.38 -11.34 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.892 0.877 . . . . 0.0 111.697 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m -82.42 -7.65 59.63 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.113 -0.367 . . . . 0.0 111.847 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.99 118.55 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.342 0.657 . . . . 0.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.69 97.25 4.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 65' ' ' VAL . 74.9 mt -62.78 128.58 36.59 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.803 0.69 . . . . 0.0 111.891 -172.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -112.31 161.11 17.0 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -57.28 -46.58 82.99 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.627 0.371 . . . . 0.0 110.385 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.51 11.56 8.48 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 65' ' ' VAL . 92.4 m -65.07 96.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.147 0.43 . . . . 0.0 110.88 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.6 p -105.08 -175.95 2.94 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.011 0.524 . . . . 0.0 110.406 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.19 -13.05 15.23 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.757 0.823 . . . . 0.0 112.754 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -86.05 -34.67 20.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 0.0 110.565 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -77.98 -24.79 47.91 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.112 0.565 . . . . 0.0 111.087 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.25 108.06 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.41 -36.78 85.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.086 0.555 . . . . 0.0 111.222 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.99 -5.64 42.56 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.637 0.775 . . . . 0.0 112.643 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -85.08 67.51 10.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.54 0.736 . . . . 0.0 110.058 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.86 171.65 13.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.475 0.71 . . . . 0.0 109.663 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 48.7 m -52.89 -36.28 59.12 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.69 -33.16 60.34 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.613 0.365 . . . . 0.0 111.043 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -69.24 -31.26 69.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.079 0.552 . . . . 0.0 111.177 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HE1' H421 ' A' ' 88' ' ' PNS . 82.6 m-70 -56.72 -42.55 79.41 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.18 0.592 . . . . 0.0 110.809 170.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -62.54 -45.7 91.76 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.714 0.406 . . . . 0.0 110.845 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.5 -39.49 93.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.725 0.81 . . . . 0.0 111.05 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -60.45 -49.23 78.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.084 0.954 . . . . 0.0 110.783 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.5 mp -64.35 -53.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.526 -177.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.98 -29.04 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -64.93 -45.89 83.92 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.29 0.636 . . . . 0.0 111.208 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.52 -40.9 98.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.508 0.323 . . . . 0.0 111.463 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.8 mm-40 -60.0 -53.0 63.0 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.938 0.895 . . . . 0.0 111.477 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.43 -42.61 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -65.01 -51.46 61.51 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.258 0.623 . . . . 0.0 112.18 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -96.91 -1.85 44.98 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 58.15 33.75 23.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.236 1.014 . . . . 0.0 110.999 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.2 pt -98.27 175.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.427 0.691 . . . . 0.0 109.514 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -145.25 109.6 4.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.307 0.643 . . . . 0.0 110.192 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -81.75 134.11 35.41 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.38 136.18 33.17 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 167.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.83 -33.52 61.77 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.36 1.064 . . . . 0.0 111.958 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.39 -46.97 93.29 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.41 0.444 . . . . 0.0 113.003 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.39 -38.12 89.92 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.869 0.868 . . . . 0.0 110.195 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -67.44 -37.75 83.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.998 1.319 . . . . 0.0 111.605 -170.244 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -71.16 -19.14 62.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.8 -8.3 58.87 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.096 0.558 . . . . 0.0 110.963 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 ' HG ' ' A' ' 71' ' ' LEU . 25.0 mt -84.57 91.62 7.93 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -77.74 -27.64 50.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 110.661 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 64' ' ' ASN . 0.0 OUTLIER -159.65 -179.37 7.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 -176.25 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 22' ' ' LEU . 91.8 t -67.6 -19.8 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 124.668 1.187 . . . . 0.0 110.897 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.76 -40.92 98.98 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 62' ' ' LEU . 34.8 m-20 -69.51 -41.87 75.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.085 0.554 . . . . 0.0 110.831 174.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.98 -37.19 81.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.187 0.449 . . . . 0.0 110.836 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -56.29 23.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.407 0.683 . . . . 0.0 110.019 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.5 m-20 -61.34 -47.82 84.13 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.86 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.581 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -69.12 -48.85 61.38 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.652 0.781 . . . . 0.0 111.798 -169.135 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.2 t -58.27 -38.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 122.95 0.5 . . . . 0.0 110.21 174.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' THR . 16.8 t70 -70.86 -31.0 67.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.123 0.569 . . . . 0.0 111.048 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.4 mmmt -65.84 -35.67 81.33 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.3 mmtt -69.69 -39.49 76.93 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.445 0.698 . . . . 0.0 110.214 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 93.1 mt -68.54 -28.73 67.24 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.644 0.778 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.633 0.773 . . . . 0.0 110.159 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.1 mmm-85 -73.98 -14.46 61.03 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.199 173.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.5 mmtt -84.35 -72.36 0.47 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 122.508 0.323 . . . . 0.0 110.249 171.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.2 mt 40.42 45.57 1.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 124.382 1.073 . . . . 0.0 111.126 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 144.01 57.15 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.238 -166.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -48.01 -55.43 10.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.212 1.405 . . . . 0.0 111.824 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.0 t60 176.57 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.319 1.047 . . . . 0.0 110.602 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m170 59.89 -82.53 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.684 1.194 . . . . 0.0 110.579 -165.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -176.96 14.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.822 1.649 . . . . 0.0 108.965 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -142.82 82.28 1.76 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.646 0.779 . . . . 0.0 108.957 -170.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 124.995 1.318 . . . . 0.0 108.055 172.388 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PNS . . . . . 0.502 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo . . . . . 0 CA--C 1.548 1.175 0 CA-C-O 121.273 0.447 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -76.94 -57.05 4.07 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.277 -164.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.67 -40.21 53.04 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 119.127 0.876 . . . . 0.0 111.619 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.97 -53.79 51.14 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.239 1.016 . . . . 0.0 111.268 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.54 65.86 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.022 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.61 -28.23 26.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.626 0.771 . . . . 0.0 111.742 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -55.83 -47.34 98.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.944 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.78 -33.6 96.16 Favored 'Trans proline' 0 C--N 1.387 2.598 0 C-N-CA 121.98 1.786 . . . . 0.0 112.837 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.8 mm -68.07 -49.82 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.11 0.564 . . . . 0.0 110.455 -177.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.47 -38.49 77.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -61.74 -31.59 71.77 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.821 0.449 . . . . 0.0 111.1 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -75.78 -53.67 8.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.451 0.3 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.7 t -56.63 -53.92 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.38 -1.72 57.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.668 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.98 75.05 0.23 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.194 1.397 . . . . 0.0 111.572 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.38 168.64 26.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.69 -171.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -127.14 -26.97 3.03 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.16 0.984 . . . . 0.0 110.303 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -86.13 -15.56 40.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.026 0.93 . . . . 0.0 112.135 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.21 111.98 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.3 125.71 74.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -80.03 135.17 36.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.497 0.665 . . . . 0.0 111.628 -174.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.18 163.97 27.36 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -67.73 -15.53 63.68 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.02 -15.84 20.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.63 0.772 . . . . 0.0 111.779 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -65.32 129.74 40.82 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.69 0.396 . . . . 0.0 110.313 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 p -132.27 -176.29 4.03 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.876 0.87 . . . . 0.0 109.683 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.78 70.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.293 0.637 . . . . 0.0 111.592 172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -66.65 -26.23 66.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.153 0.581 . . . . 0.0 111.328 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.48 -21.55 41.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.238 0.615 . . . . 0.0 111.667 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.55 94.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.16 0.584 . . . . 0.0 110.134 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.48 94.04 1.24 Allowed 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 159.55 -41.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.493 1.917 . . . . 0.0 107.846 -166.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -77.25 115.55 17.12 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.119 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.2 p-10 -135.82 -170.82 2.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.4 m -51.47 -51.84 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.722 1.209 . . . . 0.0 112.571 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -44.03 93.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.472 0.709 . . . . 0.0 110.336 -176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 58.3 m -73.28 -26.98 61.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.953 0.501 . . . . 0.0 111.899 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -68.52 -40.9 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.411 1.085 . . . . 0.0 110.28 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.3 mmm -68.4 -38.19 81.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.925 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.61 -39.95 90.05 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.429 0.692 . . . . 0.0 110.392 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.33 -51.19 64.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.905 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.66 -43.48 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.498 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.55 -26.83 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.743 0.701 . . . . 0.0 111.776 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 m -65.26 -40.33 93.81 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.954 0.502 . . . . 0.0 110.569 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.05 -34.33 73.09 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.352 0.261 . . . . 0.0 110.747 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 62.8 mm-40 -60.77 -49.54 77.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.227 1.011 . . . . 0.0 110.881 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -76.7 -46.81 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -68.03 -57.59 5.9 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.548 0.739 . . . . 0.0 112.459 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.96 -5.84 49.81 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.752 0.421 . . . . 0.0 111.493 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 66.57 19.79 10.83 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.6 1.16 . . . . 0.0 111.797 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.9 pt -100.28 142.33 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.992 0.517 . . . . 0.0 110.558 -168.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -102.57 125.66 49.38 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.317 1.047 . . . . 0.0 110.861 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.63 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 98.2 m-85 -108.4 134.83 50.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.599 0.76 . . . . 0.0 109.261 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 146.56 24.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.3 tm? -60.58 -27.94 68.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.384 0.673 . . . . 0.0 110.3 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.25 -34.97 90.12 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 123.298 0.373 . . . . 0.0 112.708 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.5 mt-10 -79.97 -28.03 39.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.647 0.779 . . . . 0.0 110.584 176.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 62' ' ' LEU . 3.8 mm? -62.96 -35.22 79.41 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.503 0.721 . . . . 0.0 110.289 171.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.6 mm-40 -57.68 -24.67 57.9 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.392 0.677 . . . . 0.0 111.612 170.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -96.84 -11.76 24.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.201 1.0 . . . . 0.0 112.029 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 68' ' ' LEU . 85.6 mt -90.71 78.75 6.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.156 0.582 . . . . 0.0 110.365 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 1.8 tmtp? -86.81 -33.36 19.9 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -133.63 170.52 15.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.389 0.676 . . . . 0.0 109.941 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.433 HG11 HD13 ' A' ' 22' ' ' LEU . 41.5 t -69.44 -17.3 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 124.54 1.136 . . . . 0.0 110.729 174.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.65 86.74 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.98 -37.67 86.56 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.303 0.641 . . . . 0.0 110.172 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 62' ' ' LEU . 4.3 mm? -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.307 0.379 . . . . 0.0 110.62 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.96 89.14 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.315 0.579 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 49.6 m-20 -64.41 -58.01 7.68 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.296 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.63 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.6 mm? -61.54 -55.46 30.64 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.45 1.094 . . . . 0.0 111.236 -170.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 79.1 t -48.7 -47.24 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.467 1.107 . . . . 0.0 110.647 175.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.92 -34.81 77.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 69.1 mmtt -68.27 -34.95 77.12 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 73.1 mmtt -72.89 -37.33 67.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 0.0 110.313 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.1 mt -67.93 -29.9 69.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.219 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.27 84.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.093 0.557 . . . . 0.0 109.726 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.1 mmm180 -71.71 -16.97 62.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.812 0.445 . . . . 0.0 110.862 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.8 mmtt . . . . . 0 N--CA 1.479 0.994 0 C-N-CA 123.11 0.564 . . . . 0.0 112.046 172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo . . . . . 0 CA--C 1.539 0.767 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 73' ' ' ASP . 82.4 p -64.08 -77.04 0.06 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.025 0.53 . . . . 0.0 111.918 -169.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.94 -36.14 82.44 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.52 -50.01 68.85 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.344 1.458 . . . . 0.0 112.904 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.68 40.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.418 0.687 . . . . 0.0 110.611 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 HG21 ' A' ' 72' ' ' VAL . 96.8 mt -71.36 -35.04 70.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.54 0.336 . . . . 0.0 111.125 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.7 m -53.9 -51.29 78.21 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.929 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.22 -30.44 91.25 Favored 'Trans proline' 0 C--N 1.387 2.564 0 C-N-CA 122.318 2.012 . . . . 0.0 113.166 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.49 -47.38 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.663 0.385 . . . . 0.0 110.341 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.03 -40.27 78.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.291 0.636 . . . . 0.0 109.943 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.94 -33.87 65.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.542 0.737 . . . . 0.0 111.945 173.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -79.81 -56.2 4.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.041 0.537 . . . . 0.0 111.402 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.2 t -56.99 -55.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.514 1.125 . . . . 0.0 111.941 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -83.77 -15.77 47.24 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.28 80.88 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.36 1.064 . . . . 0.0 110.777 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -176.67 114.85 0.11 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.485 1.114 . . . . 0.0 109.048 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -77.72 -9.12 58.83 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.87 0.468 . . . . 0.0 111.525 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -82.41 -12.29 57.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.302 0.641 . . . . 0.0 111.336 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.47 117.83 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.648 0.779 . . . . 0.0 110.715 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.89 98.53 4.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 HG11 ' A' ' 65' ' ' VAL . 93.5 mt -66.33 143.53 57.12 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.623 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -128.09 -179.3 4.91 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -56.57 -55.56 32.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.116 0.566 . . . . 0.0 110.256 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.21 15.62 20.47 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.792 0.837 . . . . 0.0 112.035 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.3 m -65.17 140.44 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 159.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.549 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 99.7 p -166.42 -173.71 2.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.922 0.489 . . . . 0.0 110.278 -171.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -17.02 64.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -86.9 -37.75 17.36 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.256 0.622 . . . . 0.0 109.603 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.549 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.9 t70 -75.0 -18.47 60.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.551 0.741 . . . . 0.0 111.268 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -118.55 107.07 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.42 -38.29 90.59 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.781 0.832 . . . . 0.0 111.126 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -8.67 44.08 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.505 0.722 . . . . 0.0 112.843 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.447 ' HZ2' ' HD1' ' A' ' 39' ' ' HIS . 1.9 t-105 -74.33 111.51 9.57 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB2' ' A' ' 38' ' ' SER . 20.9 t70 -117.13 169.23 9.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.205 1.402 . . . . 0.0 108.084 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -49.23 -53.6 20.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.712 0.805 . . . . 0.0 112.031 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -33.1 74.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.06 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 17.5 m -68.03 -35.48 78.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.318 0.647 . . . . 0.0 110.343 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.447 ' HD1' ' HZ2' ' A' ' 34' ' ' TRP . 67.9 t60 -65.83 -41.44 91.78 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.937 0.895 . . . . 0.0 110.522 175.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -62.67 -41.62 99.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.44 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.6 -39.58 91.73 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.988 0.805 . . . . 0.0 110.493 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -63.93 -51.51 64.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.412 0.685 . . . . 0.0 111.037 -177.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.38 -48.5 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.404 0.682 . . . . 0.0 110.435 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.58 -27.56 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -66.57 -39.65 88.59 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.513 0.508 . . . . 0.0 110.871 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.85 -36.16 77.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 7.3 mm-40 -64.84 -46.97 79.68 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.783 0.833 . . . . 0.0 111.267 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.98 -44.58 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -63.2 -59.15 5.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.916 0.486 . . . . 0.0 111.423 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -88.78 0.58 56.38 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.943 0.497 . . . . 0.0 111.12 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.293 0.0 OUTLIER 40.23 57.17 2.49 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.536 1.534 . . . . 0.0 112.596 -175.418 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 pt -115.62 -176.73 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.888 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -139.48 109.89 6.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.75 0.42 . . . . 0.0 110.827 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -86.7 139.88 30.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.278 0.631 . . . . 0.0 109.504 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.63 17.87 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -57.48 -37.04 72.27 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.513 0.725 . . . . 0.0 110.658 178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.21 90.32 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 123.696 0.623 . . . . 0.0 112.988 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 71' ' ' LEU . 46.6 mt-10 -79.21 -20.59 47.92 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.067 0.947 . . . . 0.0 111.53 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 56' ' ' LEU . 73.8 mt -77.01 -31.38 56.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.862 0.465 . . . . 0.0 109.776 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -67.57 -18.98 65.2 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.245 0.618 . . . . 0.0 111.423 171.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.16 -13.86 59.46 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.834 0.454 . . . . 0.0 110.915 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 68' ' ' LEU . 68.1 mt -92.84 88.81 6.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.142 0.577 . . . . 0.0 110.141 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HD2' HD22 ' A' ' 64' ' ' ASN . 1.3 tmtp? -85.5 -37.5 19.63 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 172.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.463 HD22 ' HD2' ' A' ' 63' ' ' LYS . 6.1 p30 -142.41 174.64 10.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 22' ' ' LEU . 45.1 t -72.39 -17.38 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.62 1.168 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.1 90.64 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 168.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -71.2 -35.58 71.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.167 0.587 . . . . 0.0 110.591 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 62' ' ' LEU . 3.8 mm? -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 169.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.05 87.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.073 0.549 . . . . 0.0 110.081 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 39.7 m-20 -64.87 -51.62 61.03 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.714 175.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.73 -52.51 60.17 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.111 0.964 . . . . 0.0 110.662 -169.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 7' ' ' LEU . 79.4 t -61.33 -35.9 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.815 0.846 . . . . 0.0 110.865 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.512 ' HB2' HG22 ' A' ' 3' ' ' THR . 19.7 t70 -69.62 -27.93 65.49 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.499 0.32 . . . . 0.0 111.238 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.5 mmmm -73.42 -28.26 61.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.704 0.402 . . . . 0.0 110.018 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 73.6 mmtt -74.99 -35.96 62.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.08 0.552 . . . . 0.0 109.978 172.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.4 mt -73.62 -20.23 60.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.397 0.679 . . . . 0.0 109.986 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.79 76.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.003 0.521 . . . . 0.0 109.877 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 36.2 mmt180 -69.1 -29.99 68.2 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.437 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 32.3 mmtp . . . . . 0 N--CA 1.484 1.261 0 C-N-CA 122.774 0.43 . . . . 0.0 110.768 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo . . . . . 0 CA--C 1.545 1.075 0 N-CA-C 112.545 0.171 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 40.7 p -68.48 -63.26 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 124.118 0.967 . . . . 0.0 113.16 -163.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -50.68 -41.37 55.67 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.565 0.746 . . . . 0.0 111.344 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.55 -48.93 68.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.029 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.1 73.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.449 0.7 . . . . 0.0 111.793 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 3' ' ' THR . 87.2 mt -80.76 -19.15 45.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.548 0.739 . . . . 0.0 110.426 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 32.6 m -55.56 -53.94 56.88 Favored Pre-proline 0 CA--C 1.57 1.732 0 CA-C-O 117.747 -1.12 . . . . 0.0 111.966 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 33.6 Cg_exo -61.0 -30.32 89.62 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 122.42 2.08 . . . . 0.0 113.156 175.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.35 -58.39 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.322 0.649 . . . . 0.0 110.374 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.26 -42.55 93.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.292 0.637 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.14 -36.41 70.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.905 0.482 . . . . 0.0 111.87 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -76.45 -51.97 10.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 122.318 -0.239 . . . . 0.0 111.154 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 42' ' ' LEU . 53.9 t -53.77 -55.02 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.454 1.102 . . . . 0.0 112.123 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -80.34 -15.49 56.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.022 0.529 . . . . 0.0 111.317 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.12 74.84 0.42 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 124.705 1.202 . . . . 0.0 108.983 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -163.84 -175.53 4.13 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.667 -167.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.36 -28.6 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.845 0.858 . . . . 0.0 109.717 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 m -75.63 -14.4 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.709 0.804 . . . . 0.0 112.147 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.69 117.55 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.345 0.658 . . . . 0.0 109.833 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.22 109.79 27.68 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.17 128.32 35.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.666 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -126.73 165.95 18.3 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -31.75 68.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 122.759 0.424 . . . . 0.0 111.853 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.54 -17.65 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 65' ' ' VAL . 61.2 m -61.5 116.44 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.983 0.513 . . . . 0.0 111.77 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.4 p -126.22 -175.41 3.36 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.487 0.715 . . . . 0.0 109.711 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.11 63.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -78.61 -24.96 45.1 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.071 0.396 . . . . 0.0 110.866 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.8 -19.63 48.08 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.724 0.81 . . . . 0.0 111.268 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.92 109.07 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.62 -29.42 70.61 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.305 1.042 . . . . 0.0 111.527 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.63 -19.36 61.46 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -80.98 114.05 19.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.589 0.755 . . . . 0.0 110.354 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.42 176.87 5.66 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.178 1.391 . . . . 0.0 108.68 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -56.98 -34.0 67.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.46 0.704 . . . . 0.0 110.569 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -42.99 93.13 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.28 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 m -66.57 -29.59 69.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.657 0.383 . . . . 0.0 110.666 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -62.74 -44.1 97.08 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.71 0.631 . . . . 0.0 110.791 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.3 -42.04 76.91 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 120.849 0.357 . . . . 0.0 110.643 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -68.39 -35.27 77.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.281 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -58.87 -58.98 6.24 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.502 0.721 . . . . 0.0 110.628 176.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.05 -52.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.224 0.953 . . . . 0.0 110.366 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.29 -31.23 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 m -67.86 -43.72 78.78 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.786 0.434 . . . . 0.0 110.673 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.3 mt -66.86 -32.98 74.61 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.24 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 13.8 mm-40 -65.33 -57.63 7.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.152 0.981 . . . . 0.0 110.306 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.84 -38.01 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -171.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -72.78 -54.9 7.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.858 0.463 . . . . 0.0 112.11 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 52' ' ' ILE . 80.2 m-85 -86.71 -17.19 34.27 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.39 48.31 19.35 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.528 1.131 . . . . 0.0 110.342 -171.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 50' ' ' TYR . 17.7 pt -117.23 -176.29 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.949 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -126.52 123.5 37.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.473 0.709 . . . . 0.0 109.923 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 71' ' ' LEU . 96.7 m-85 -117.76 131.59 56.57 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 167.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -98.41 138.55 35.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 2.9 tm? -60.12 -27.64 67.21 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.484 0.714 . . . . 0.0 109.753 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.31 95.36 Favored Glycine 0 C--N 1.354 1.537 0 O-C-N 123.449 0.468 . . . . 0.0 113.036 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 42.8 mt-10 -66.58 -37.39 84.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.373 0.669 . . . . 0.0 110.082 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.727 HD13 HD12 ' A' ' 62' ' ' LEU . 4.4 mm? -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.565 0.746 . . . . 0.0 111.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 23.8 mm-40 -62.91 -28.67 70.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.768 0.427 . . . . 0.0 111.051 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -81.03 -18.66 45.99 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.502 0.721 . . . . 0.0 110.57 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.727 HD12 HD13 ' A' ' 59' ' ' LEU . 30.2 mt -91.89 107.8 19.47 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.214 0.605 . . . . 0.0 110.173 -173.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -83.92 -27.38 28.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.579 0.751 . . . . 0.0 111.734 -178.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -159.8 -175.06 4.92 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 54.3 t -72.03 -13.11 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.483 1.113 . . . . 0.0 110.576 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.63 -36.59 48.13 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 169.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 62' ' ' LEU . 13.4 m-20 -69.97 -35.91 74.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.928 0.491 . . . . 0.0 110.261 171.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm? -65.79 -32.95 74.77 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.471 0.482 . . . . 0.0 110.174 169.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.71 88.1 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 55.0 m-20 -59.36 -58.2 9.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.262 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.525 1.13 . . . . 0.0 111.786 -164.352 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 95.8 t -60.74 -40.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.168 0.587 . . . . 0.0 110.558 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.92 -31.1 71.47 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.246 0.218 . . . . 0.0 111.004 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 70.3 mmtt -63.62 -43.69 96.12 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.65 0.594 . . . . 0.0 109.575 177.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -68.2 -46.84 69.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.334 0.654 . . . . 0.0 110.36 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.35 -23.71 64.72 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 0.0 111.206 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.39 -41.47 76.42 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.373 0.669 . . . . 0.0 110.965 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.7 mmt180 -73.76 -29.94 62.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.278 0.631 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.684 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo . . . . . 0 CA--C 1.54 0.813 0 N-CA-C 110.787 -0.505 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 m -61.54 -50.45 72.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.857 0.863 . . . . 0.0 112.284 -161.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.23 -53.16 61.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.426 0.69 . . . . 0.0 111.5 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.79 -29.11 63.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.698 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.46 71.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.241 0.616 . . . . 0.0 110.928 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.72 -28.87 62.92 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.543 0.737 . . . . 0.0 110.123 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -54.48 -48.31 95.3 Favored Pre-proline 0 CA--C 1.57 1.737 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -172.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.48 -26.3 76.3 Favored 'Trans proline' 0 C--N 1.394 2.952 0 C-N-CA 122.444 2.096 . . . . 0.0 113.436 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.62 -48.99 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-O 121.508 0.67 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.4 m-85 -70.25 -42.28 72.4 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.294 -175.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.527 HH21 HG22 ' A' ' 21' ' ' VAL . 96.6 mtt180 -58.56 -42.35 87.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 0.0 111.226 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.02 -49.03 79.46 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.003 0.815 . . . . 0.0 110.485 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -54.88 -52.72 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.171 0.988 . . . . 0.0 112.078 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.37 1.88 56.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -172.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 58.2 21.45 8.1 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.516 1.127 . . . . 0.0 111.036 -174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.77 172.87 6.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.93 0.892 . . . . 0.0 110.412 -169.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -144.0 -22.19 0.57 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.716 0.807 . . . . 0.0 110.871 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.9 m -76.49 -17.94 59.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.737 0.815 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 31' ' ' ILE . 64.6 mt -69.06 106.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HH21 ' A' ' 12' ' ' ARG . 77.1 t -118.23 111.76 35.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 65' ' ' VAL . 74.6 mt -73.11 140.13 46.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.762 0.791 . . . . 0.0 111.837 -171.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 172.17 13.07 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.541 -1.663 . . . . 0.0 106.882 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.07 -28.62 64.72 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 9.08 12.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.0 m -60.17 134.51 57.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 168.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.528 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 88.9 p -154.96 176.47 12.48 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.525 0.678 . . . . 0.0 111.296 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.75 -10.29 59.53 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.676 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -95.51 -32.42 12.87 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.677 0.791 . . . . 0.0 109.052 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.528 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.1 t70 -64.6 -26.71 68.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.955 1.302 . . . . 0.0 112.446 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.59 HD13 HG12 ' A' ' 20' ' ' ILE . 75.6 mt -125.89 126.04 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.454 0.702 . . . . 0.0 110.005 -172.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.25 -35.07 77.35 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.022 0.929 . . . . 0.0 111.567 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.73 -15.63 63.01 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.909 0.883 . . . . 0.0 112.448 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -89.65 123.75 33.97 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.52 0.728 . . . . 0.0 109.603 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.19 139.55 50.63 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.766 1.226 . . . . 0.0 110.505 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -36.09 -61.33 0.5 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.005 1.722 . . . . 0.0 114.014 170.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.72 -29.02 69.83 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.458 0.703 . . . . 0.0 112.062 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -74.1 -18.27 60.83 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.046 0.539 . . . . 0.0 111.904 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.4 m-70 -52.0 -36.16 49.05 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.301 171.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.7 mmm -61.51 -31.64 71.64 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.69 -35.63 81.65 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.641 0.588 . . . . 0.0 110.49 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.9 mm? -65.13 -54.71 25.66 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.738 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -51.46 -57.95 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 124.369 1.043 . . . . 0.0 110.313 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.78 -33.79 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.43 0.456 . . . . 0.0 112.014 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -70.34 -38.81 74.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.117 0.567 . . . . 0.0 111.643 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 50.4 mt -70.35 -36.94 74.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.956 0.502 . . . . 0.0 110.007 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 11.0 mm-40 -61.34 -52.1 66.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.366 1.066 . . . . 0.0 110.74 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.03 -43.33 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -67.74 -48.23 67.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.188 0.595 . . . . 0.0 111.2 -177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' C ' ' HZ2' ' A' ' 51' ' ' LYS . 96.1 m-85 -94.05 -5.2 48.01 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 60.73 27.13 16.89 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.595 1.158 . . . . 0.0 110.932 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 pt -100.53 177.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -148.04 106.43 3.77 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.702 0.287 . . . . 0.0 111.135 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.66 141.36 30.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.286 0.634 . . . . 0.0 109.574 172.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.66 159.87 15.65 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 162.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -62.13 -26.3 68.23 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.064 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.21 -33.86 88.39 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 120.251 -0.194 . . . . 0.0 112.908 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 5.1 mm-40 -69.17 -42.14 76.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.292 0.637 . . . . 0.0 109.543 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -54.23 -45.85 72.4 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.576 1.151 . . . . 0.0 111.498 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 19.1 mm-40 -55.02 -26.21 35.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.206 1.002 . . . . 0.0 112.768 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -97.49 -9.02 27.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.549 0.74 . . . . 0.0 111.951 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD12 HD13 ' A' ' 59' ' ' LEU . 75.2 mt -83.79 89.46 7.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.303 0.641 . . . . 0.0 109.452 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -87.92 -33.48 18.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.115 0.566 . . . . 0.0 110.391 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -141.13 176.17 9.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.162 0.985 . . . . 0.0 108.93 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 22' ' ' LEU . 61.2 t -69.58 -16.41 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 124.459 1.104 . . . . 0.0 111.263 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.98 90.61 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.12 -41.6 97.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.396 0.678 . . . . 0.0 110.629 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.74 -45.58 85.63 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.57 73.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.096 0.558 . . . . 0.0 110.99 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 14.6 t70 -66.0 -60.96 2.32 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.969 0.793 . . . . 0.0 110.462 174.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.86 -46.2 82.88 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.699 0.399 . . . . 0.0 112.008 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.94 -44.68 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.569 0.748 . . . . 0.0 110.099 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.97 -41.55 92.2 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.633 0.773 . . . . 0.0 112.19 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 39.2 mmtm -67.76 -39.13 84.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 123.652 0.595 . . . . 0.0 111.175 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.44 -26.28 38.46 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.683 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -18.65 42.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.555 0.742 . . . . 0.0 110.928 171.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.59 -34.66 72.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.982 0.513 . . . . 0.0 109.845 166.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -77.39 -27.93 52.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.801 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 122.894 0.477 . . . . 0.0 110.836 177.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo . . . . . 0 CA--C 1.533 0.457 0 N-CA-C 110.944 -0.445 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 57.1 p -63.66 -63.82 1.07 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.045 -171.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.463 HD11 ' HG2' ' A' ' 24' ' ' ARG . 87.8 mt -60.62 -39.77 89.41 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.528 0.731 . . . . 0.0 110.75 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.44 -41.77 76.99 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.106 0.962 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.25 -34.18 49.23 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 0.0 111.158 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 72' ' ' VAL . 93.2 mt -71.15 -32.9 69.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.089 0.556 . . . . 0.0 111.175 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -53.39 -54.75 41.87 Favored Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.512 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.04 -25.55 51.38 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 122.253 1.968 . . . . 0.0 113.19 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.4 mm -65.56 -52.28 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.768 0.427 . . . . 0.0 109.867 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.42 -40.57 96.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.34 -28.55 69.3 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.092 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -78.08 -53.31 7.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.989 0.515 . . . . 0.0 110.494 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' ' 42' ' ' LEU . 62.7 t -51.78 -56.28 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.724 1.21 . . . . 0.0 112.47 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.39 -12.42 56.5 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.634 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.76 64.6 1.14 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.779 1.232 . . . . 0.0 110.088 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -164.3 118.58 1.44 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -8.61 58.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.656 0.782 . . . . 0.0 110.604 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 m -79.5 -11.19 59.9 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.664 0.386 . . . . 0.0 111.561 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.85 117.72 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.287 0.635 . . . . 0.0 110.594 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.65 106.55 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD13 HG11 ' A' ' 65' ' ' VAL . 84.7 mt -77.05 141.83 40.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 111.528 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 p -122.73 177.03 5.63 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 164.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HG2' HD11 ' A' ' 4' ' ' LEU . 42.7 mtm180 -68.61 -45.86 70.82 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 122.144 -0.348 . . . . 0.0 110.837 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.09 5.95 8.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 97.9 m -63.32 95.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.855 0.862 . . . . 0.0 111.191 173.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -92.04 177.02 6.29 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -14.17 42.09 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.1 -30.8 55.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.889 0.876 . . . . 0.0 110.523 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.88 -31.2 69.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.963 0.905 . . . . 0.0 111.199 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.58 110.61 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -67.37 -26.44 66.47 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.271 0.628 . . . . 0.0 111.846 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.35 60.0 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.145 0.578 . . . . 0.0 112.357 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -82.89 70.99 9.99 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.387 0.675 . . . . 0.0 110.734 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.97 167.27 21.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.306 1.042 . . . . 0.0 109.74 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -52.89 -37.51 60.65 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.136 0.974 . . . . 0.0 111.98 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.06 -39.04 93.21 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 110.114 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -31.36 70.79 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.506 0.722 . . . . 0.0 110.997 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -60.98 -42.07 97.67 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.505 0.722 . . . . 0.0 110.839 170.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.2 mmm -61.49 -46.52 89.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.572 0.545 . . . . 0.0 110.61 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.66 -42.86 93.81 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.8 tm? -62.82 -48.39 79.27 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.657 1.183 . . . . 0.0 111.109 -177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 30.4 mm -69.85 -47.79 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.877 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.87 -24.96 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.115 0.416 . . . . 0.0 111.986 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -65.62 -46.33 79.71 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.606 168.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.0 -36.71 84.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.65 0.38 . . . . 0.0 110.943 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 8.9 mm-40 -62.16 -54.15 45.23 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.982 0.913 . . . . 0.0 110.369 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.01 -44.21 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -66.38 -54.56 22.97 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.149 0.579 . . . . 0.0 112.141 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -92.56 -4.92 52.7 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? 62.2 27.77 16.67 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.425 1.09 . . . . 0.0 111.172 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 pt -102.46 -176.38 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.453 0.701 . . . . 0.0 111.203 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -133.19 132.95 42.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.869 0.868 . . . . 0.0 110.286 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.47 ' HZ ' HG22 ' A' ' 72' ' ' VAL . 97.7 m-85 -128.23 142.6 51.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.302 0.641 . . . . 0.0 109.388 164.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.14 153.01 22.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.96 -28.77 68.54 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.3 94.6 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 123.306 0.379 . . . . 0.0 112.466 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.9 mt-10 -66.09 -40.62 90.93 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.133 0.573 . . . . 0.0 110.141 174.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 43' ' ' ILE . 4.5 mm? -58.45 -35.54 72.31 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.306 1.042 . . . . 0.0 112.34 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.617 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -69.68 -23.68 63.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.81 0.444 . . . . 0.0 111.397 178.122 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.42 -9.76 31.81 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 0.0 111.37 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD21 ' HG ' ' A' ' 71' ' ' LEU . 98.2 mt -88.43 102.66 15.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -89.68 -27.86 19.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.993 0.517 . . . . 0.0 110.035 -175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -157.84 178.94 9.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.036 0.534 . . . . 0.0 111.982 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 HD13 ' A' ' 22' ' ' LEU . 41.9 t -68.02 -16.75 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.454 1.101 . . . . 0.0 111.315 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -38.02 56.97 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 34.2 m-20 -63.84 -41.33 97.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 169.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.3 mm? -63.78 -31.37 72.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.066 0.546 . . . . 0.0 111.718 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -51.17 67.43 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.664 0.665 . . . . 0.0 109.811 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 12.5 m-20 -65.69 -41.04 92.88 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.926 176.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.606 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.59 -55.05 9.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.269 0.628 . . . . 0.0 110.535 -170.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 7' ' ' LEU . 95.6 t -54.85 -37.14 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.667 0.787 . . . . 0.0 110.334 174.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.52 -40.55 97.11 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.252 0.621 . . . . 0.0 111.431 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.7 mmmm -64.43 -39.91 94.74 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.474 0.484 . . . . 0.0 109.702 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 71.5 mmtt -68.51 -45.84 71.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.849 0.86 . . . . 0.0 110.539 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.76 -36.72 85.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.671 0.788 . . . . 0.0 110.504 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.59 81.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.648 0.779 . . . . 0.0 110.97 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.27 -34.66 73.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.171 0.588 . . . . 0.0 111.238 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.6 mmtt . . . . . 0 N--CA 1.488 1.463 0 C-N-CA 123.688 0.795 . . . . 0.0 111.922 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo . . . . . 0 CA--C 1.545 1.038 0 CA-C-O 120.95 0.312 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 31.3 p -62.03 -75.74 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.983 0.913 . . . . 0.0 112.731 -168.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.74 -30.03 71.18 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.815 0.446 . . . . 0.0 110.432 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -55.12 -42.83 73.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.906 0.882 . . . . 0.0 111.59 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.35 20.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.623 0.769 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.02 -39.39 66.02 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.715 0.406 . . . . 0.0 111.65 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -56.57 -50.17 89.34 Favored Pre-proline 0 N--CA 1.485 1.294 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.256 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.99 -27.31 74.24 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 121.779 1.653 . . . . 0.0 113.233 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -70.35 -41.79 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.49 -42.67 87.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.397 0.679 . . . . 0.0 110.363 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.99 -25.19 67.48 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.967 0.507 . . . . 0.0 111.475 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.4 -60.73 1.99 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.199 0.6 . . . . 0.0 111.234 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.21 -44.17 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 124.43 1.092 . . . . 0.0 111.534 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -90.39 -17.56 27.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.093 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.07 80.77 0.17 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.207 1.003 . . . . 0.0 110.841 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.43 108.91 0.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.2 -17.66 61.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.368 0.667 . . . . 0.0 111.891 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -79.24 -6.52 56.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.19 -0.319 . . . . 0.0 111.121 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.51 109.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 172.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.32 101.27 11.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 65' ' ' VAL . 83.6 mt -71.14 135.11 47.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.053 0.454 . . . . 0.0 111.871 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.2 p -130.22 157.5 42.32 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.0 -29.02 70.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.26 15.36 29.02 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -70.35 132.61 45.91 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 167.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -130.46 -175.01 3.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.577 0.626 . . . . 0.0 110.083 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.69 64.39 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.25 -36.89 61.23 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.32 -9.66 59.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.395 0.678 . . . . 0.0 111.518 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -125.84 106.25 15.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.53 -38.66 69.54 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.541 1.136 . . . . 0.0 112.914 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 12.37 22.5 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.242 0.617 . . . . 0.0 112.483 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -88.03 74.84 8.83 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.307 0.575 . . . . 0.0 109.513 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.32 162.68 24.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.187 0.995 . . . . 0.0 111.151 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -35.19 64.25 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.144 0.978 . . . . 0.0 110.922 173.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 37' ' ' LEU . 2.3 mm? -70.69 -35.97 73.06 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.249 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -65.75 -35.43 80.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -54.55 -48.28 72.23 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 123.975 0.797 . . . . 0.0 110.978 170.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.1 mmm -59.37 -43.29 92.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.13 0.572 . . . . 0.0 111.259 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -67.84 -44.44 77.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.888 0.875 . . . . 0.0 111.383 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.59 -43.95 88.14 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.99 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.659 1.183 . . . . 0.0 110.846 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.93 -29.63 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 O-C-N 123.485 0.49 . . . . 0.0 111.457 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -61.1 -46.51 90.3 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.198 0.599 . . . . 0.0 110.796 173.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 52.0 mt -65.36 -42.14 93.1 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.8 -51.14 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.89 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.49 -40.82 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.14 -50.27 49.39 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 89.3 m-85 -82.88 -8.93 59.53 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.32 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 67.45 26.29 8.32 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.052 1.341 . . . . 0.0 111.205 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 pt -101.38 171.27 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.202 1.001 . . . . 0.0 110.412 -175.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -145.99 131.38 18.62 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.033 0.533 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -131.68 157.04 44.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.293 1.037 . . . . 0.0 110.134 174.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.34 156.8 17.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.11 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -25.59 65.8 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.45 0.7 . . . . 0.0 109.322 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.99 92.84 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 116.691 -0.231 . . . . 0.0 112.685 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 46.5 mt-10 -72.51 -28.65 63.01 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.325 0.65 . . . . 0.0 110.873 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.723 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -68.85 -30.4 68.92 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.705 0.802 . . . . 0.0 111.048 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.39 -22.34 61.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.585 0.354 . . . . 0.0 110.585 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.57 -5.48 58.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.527 0.731 . . . . 0.0 111.44 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 59' ' ' LEU . 25.8 mt -103.78 126.15 50.72 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -109.23 -26.09 10.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -135.07 173.87 11.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.421 0.688 . . . . 0.0 111.478 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 HD13 ' A' ' 22' ' ' LEU . 39.7 t -64.9 -31.6 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.871 1.269 . . . . 0.0 110.576 172.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.93 79.93 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.274 0.359 . . . . 0.0 112.278 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.98 -41.64 86.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.915 0.486 . . . . 0.0 109.746 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.35 -27.73 65.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.969 0.908 . . . . 0.0 111.429 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -73.46 -45.92 51.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.903 0.881 . . . . 0.0 108.969 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 16.4 t70 -60.85 -36.8 80.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.096 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 62' ' ' LEU . 2.6 tm? -63.65 -55.12 25.97 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.241 1.017 . . . . 0.0 109.973 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 84.6 t -59.28 -36.97 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 123.835 0.709 . . . . 0.0 109.67 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.58 -42.72 97.25 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.764 1.225 . . . . 0.0 111.587 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 42.9 mmtm -69.76 -33.97 73.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.758 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 74.3 mmtt -71.01 -40.98 71.48 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.733 0.813 . . . . 0.0 110.423 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 94.7 mt -64.47 -31.99 73.44 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.03 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.31 73.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.115 0.566 . . . . 0.0 110.783 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 29.6 mmt180 -64.42 -24.42 67.62 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.597 0.359 . . . . 0.0 110.329 173.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 62.9 mttm . . . . . 0 N--CA 1.482 1.162 0 C-N-CA 123.671 0.789 . . . . 0.0 110.991 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.542 0.913 0 CA-C-O 121.609 0.587 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -66.51 -28.0 68.21 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -170.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.88 -52.12 4.75 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.348 0.659 . . . . 0.0 109.79 168.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.57 -51.22 70.83 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.714 1.206 . . . . 0.0 113.678 -169.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.61 79.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.536 0.735 . . . . 0.0 110.746 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 72' ' ' VAL . 41.5 mt -75.86 -24.46 55.75 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.084 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -56.05 -48.81 96.01 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.51 -173.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 -24.31 77.28 Favored 'Trans proline' 0 C--N 1.398 3.142 0 C-N-CA 122.653 2.235 . . . . 0.0 113.487 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.95 -43.91 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.498 0.719 . . . . 0.0 109.587 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 7' ' ' LEU . 22.1 m-85 -69.08 -41.99 76.79 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.053 0.541 . . . . 0.0 109.886 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.33 -25.96 68.54 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.121 0.568 . . . . 0.0 111.768 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -75.14 -55.49 5.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.056 0.543 . . . . 0.0 110.249 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.3 t -62.56 -53.97 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.974 . . . . 0.0 111.72 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -89.04 -13.09 39.52 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.542 0.737 . . . . 0.0 111.824 -173.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 54.75 66.29 1.27 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.93 1.292 . . . . 0.0 110.79 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -154.44 101.43 2.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.752 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.93 -10.35 59.71 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 0.0 111.825 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 p -86.95 1.19 53.53 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.096 -0.377 . . . . 0.0 110.932 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.62 107.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.71 102.5 12.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 65' ' ' VAL . 69.1 mt -65.95 139.26 58.23 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.924 0.868 . . . . 0.0 112.14 -167.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 p -125.44 168.8 13.1 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -68.48 -21.54 64.61 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.61 -4.93 46.87 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 m -59.74 111.15 1.34 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.8 0.44 . . . . 0.0 110.541 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.632 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 4.1 m -126.49 173.89 9.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.17 0.588 . . . . 0.0 110.297 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.25 92.15 8.97 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 8.5 t30 158.81 -63.76 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -146.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.43 -14.21 59.75 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.744 1.218 . . . . 0.0 111.558 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.16 121.77 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.68 -35.25 62.77 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.263 1.025 . . . . 0.0 111.236 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 -5.07 42.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.985 0.914 . . . . 0.0 112.774 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.414 ' HZ3' HG22 ' A' ' 26' ' ' THR . 3.7 t90 -87.06 71.78 10.14 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.995 0.918 . . . . 0.0 109.695 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.64 167.2 13.54 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.595 1.158 . . . . 0.0 111.777 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -46.98 -57.82 4.61 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.982 1.313 . . . . 0.0 112.082 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.3 -34.12 75.58 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.293 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -64.28 -40.23 95.55 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 110.137 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -63.53 -42.41 98.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.639 1.176 . . . . 0.0 110.927 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -66.5 -35.52 80.45 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.132 0.573 . . . . 0.0 110.924 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.55 -37.55 87.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 124.051 0.845 . . . . 0.0 109.934 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.3 tm? -65.23 -45.5 84.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.333 0.653 . . . . 0.0 110.646 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 59' ' ' LEU . 1.6 mp -62.0 -48.94 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.199 0.6 . . . . 0.0 110.839 -178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.3 -21.85 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.505 0.322 . . . . 0.0 111.793 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -64.87 -44.47 89.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.721 0.408 . . . . 0.0 110.917 170.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.95 -33.44 76.04 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.623 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.52 -53.19 55.76 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.153 0.981 . . . . 0.0 111.145 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.95 -42.75 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -67.17 -62.86 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.373 0.669 . . . . 0.0 111.572 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.45 ' HB2' HG12 ' A' ' 52' ' ' ILE . 97.3 m-85 -92.31 -10.65 37.59 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -167.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 64.47 21.43 12.46 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.212 1.005 . . . . 0.0 111.615 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 50' ' ' TYR . 19.6 pt -97.33 133.67 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -97.65 111.35 23.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.767 1.227 . . . . 0.0 109.356 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -95.15 131.08 41.56 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.83 149.43 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 tm? -59.7 -29.51 68.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.405 0.682 . . . . 0.0 110.571 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.02 -44.77 97.78 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 48.6 mt-10 -68.56 -30.62 69.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.617 0.767 . . . . 0.0 110.601 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 43' ' ' ILE . 2.6 mm? -60.63 -44.36 96.45 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.477 1.111 . . . . 0.0 111.067 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.14 -13.98 62.13 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.949 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -99.46 -6.36 27.75 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.95 0.9 . . . . 0.0 111.729 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 96.0 mt -84.77 103.43 13.84 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.41 -36.55 14.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.108 0.563 . . . . 0.0 110.07 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.518 HD22 ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -150.06 -179.09 6.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.931 -176.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 22' ' ' LEU . 60.5 t -70.24 -14.74 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.364 1.065 . . . . 0.0 110.645 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.18 96.55 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 168.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.518 ' H ' HD22 ' A' ' 64' ' ' ASN . 23.7 m-20 -68.38 -42.11 79.6 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.056 0.542 . . . . 0.0 109.817 174.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.61 -37.64 79.14 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.79 98.68 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.66 0.384 . . . . 0.0 110.581 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -64.69 -51.13 64.09 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.749 0.82 . . . . 0.0 110.565 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.7 -54.29 20.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.558 0.743 . . . . 0.0 110.932 -172.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 7' ' ' LEU . 95.6 t -52.99 -42.69 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.86 0.864 . . . . 0.0 110.856 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.04 -42.38 97.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.234 0.613 . . . . 0.0 111.197 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 31.6 mmtp -63.26 -41.68 99.06 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.578 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 62.9 mttm -75.33 -36.88 60.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.519 0.728 . . . . 0.0 110.606 -175.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.18 -34.03 76.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.866 0.467 . . . . 0.0 110.405 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.71 79.27 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.516 0.726 . . . . 0.0 110.977 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.5 mmm180 -73.93 -33.92 64.13 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.078 0.551 . . . . 0.0 110.167 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.2 mmtt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo . . . . . 0 CA--C 1.543 0.934 0 N-CA-C 112.504 0.156 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -63.71 -73.95 0.11 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.827 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 7' ' ' LEU . 70.9 mt -59.36 -32.64 70.3 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.723 0.692 . . . . 0.0 111.375 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.39 -46.34 69.63 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.035 0.934 . . . . 0.0 111.592 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.42 -12.53 27.63 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.753 0.821 . . . . 0.0 112.113 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 4' ' ' LEU . 55.7 mt -80.76 -40.94 24.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.984 0.514 . . . . 0.0 110.043 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -52.23 -49.17 86.32 Favored Pre-proline 0 CA--C 1.571 1.779 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.209 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.94 -31.84 94.26 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.022 1.815 . . . . 0.0 113.146 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -70.54 -47.2 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 123.162 0.585 . . . . 0.0 110.668 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.15 -44.7 75.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.648 0.779 . . . . 0.0 109.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.54 -16.86 63.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.005 0.522 . . . . 0.0 111.878 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -77.27 -56.38 4.61 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.97 0.508 . . . . 0.0 110.15 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 42' ' ' LEU . 55.1 t -57.69 -51.2 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.085 1.354 . . . . 0.0 111.959 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -88.56 -24.13 22.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.606 0.763 . . . . 0.0 111.473 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 59.34 58.82 2.87 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.105 0.962 . . . . 0.0 110.714 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -156.19 119.75 4.34 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.135 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.33 -23.68 54.27 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.321 1.048 . . . . 0.0 111.586 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -62.83 -23.43 67.27 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.855 0.462 . . . . 0.0 111.196 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.79 105.39 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.074 0.95 . . . . 0.0 110.106 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.13 120.7 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.3 137.23 33.1 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.025 0.44 . . . . 0.0 111.157 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -135.7 176.81 8.34 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 166.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.34 -8.34 56.4 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.1 -9.0 16.29 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.149 0.58 . . . . 0.0 111.671 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -65.56 100.47 0.51 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -88.85 169.95 11.15 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.1 -31.87 70.44 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.59 -22.96 62.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.119 0.968 . . . . 0.0 109.989 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.28 -15.35 58.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.595 0.758 . . . . 0.0 111.331 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.77 96.2 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.081 0.952 . . . . 0.0 109.183 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -75.83 92.04 3.03 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 164.74 -37.55 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.682 1.593 . . . . 0.0 108.228 -164.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.41 124.25 27.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.216 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -129.48 -179.94 5.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.944 1.297 . . . . 0.0 108.837 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -27.24 68.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.237 0.615 . . . . 0.0 109.904 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.85 -43.69 78.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.992 0.917 . . . . 0.0 109.95 173.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -61.21 -36.62 80.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.058 0.543 . . . . 0.0 110.722 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.68 -45.98 77.68 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.06 0.85 . . . . 0.0 110.985 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.3 -41.75 94.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.03 0.532 . . . . 0.0 111.133 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.94 -43.85 94.6 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 124.266 0.979 . . . . 0.0 110.676 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 2.0 mm? -56.71 -62.13 1.94 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.264 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.98 -50.41 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.227 0.954 . . . . 0.0 110.838 -172.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.52 -34.82 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-N 118.513 0.597 . . . . 0.0 112.223 -176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -69.56 -41.54 75.73 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.036 0.446 . . . . 0.0 110.401 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.0 mt -69.29 -31.06 69.3 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.408 0.683 . . . . 0.0 111.422 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 40.6 mm-40 -60.85 -59.41 5.43 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.287 1.035 . . . . 0.0 109.504 175.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.43 -36.88 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.864 -170.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -68.33 -54.42 17.55 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.828 0.451 . . . . 0.0 112.154 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.93 -16.01 39.81 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.54 44.25 18.09 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.748 1.219 . . . . 0.0 111.146 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.07 165.91 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.176 0.59 . . . . 0.0 110.177 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.71 104.45 13.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.146 0.979 . . . . 0.0 110.589 -171.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.495 ' HB3' HD21 ' A' ' 59' ' ' LEU . 98.5 m-85 -87.87 112.31 22.36 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.089 0.955 . . . . 0.0 109.009 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.44 130.28 34.62 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -61.2 -25.57 67.13 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.685 0.794 . . . . 0.0 110.695 -174.111 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -40.07 96.89 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.396 0.435 . . . . 0.0 112.443 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 45.0 mt-10 -67.34 -40.92 85.92 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.551 0.741 . . . . 0.0 110.114 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 62' ' ' LEU . 4.6 mm? -57.72 -36.44 72.03 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.073 0.949 . . . . 0.0 111.593 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -59.77 -21.47 60.82 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.471 0.709 . . . . 0.0 112.699 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' A' ' 61' ' ' LYS . 10.8 mmpt? -107.97 0.66 22.03 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.039 0.936 . . . . 0.0 112.062 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 59' ' ' LEU . 54.4 mt -94.64 90.86 6.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -29.31 36.23 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.256 1.023 . . . . 0.0 110.597 -171.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.563 HD22 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -140.64 171.6 13.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.586 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.01 -24.29 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.559 1.144 . . . . 0.0 111.153 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.98 -37.66 74.03 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 113.143 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.563 ' H ' HD22 ' A' ' 64' ' ' ASN . 69.9 m-20 -67.73 -42.27 82.15 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . 58.0 tp -63.05 -40.54 98.02 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.268 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.91 77.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 0.0 110.664 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.53 -36.65 78.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.083 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 2.5 tm? -70.51 -35.16 73.05 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.031 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 68' ' ' LEU . 92.5 t -62.98 -43.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.774 0.43 . . . . 0.0 110.222 171.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -59.18 -41.13 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.475 0.71 . . . . 0.0 110.483 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -61.92 -43.77 98.16 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.417 1.073 . . . . 0.0 110.839 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.0 mmtt -65.85 -43.8 87.36 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.48 -20.99 62.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.215 0.606 . . . . 0.0 111.262 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.48 27.4 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.534 0.734 . . . . 0.0 110.167 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -73.0 -31.45 64.5 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.545 0.738 . . . . 0.0 110.34 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 C--O 1.236 0.376 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.698 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo . . . . . 0 CA--C 1.55 1.315 0 N-CA-C 113.35 0.481 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 18.3 p -62.52 -49.76 74.05 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.777 -176.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.6 -43.85 65.62 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.679 0.792 . . . . 0.0 112.189 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.63 -43.84 85.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.316 1.047 . . . . 0.0 111.301 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.19 63.28 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 3' ' ' THR . 95.7 mt -75.29 -29.15 60.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.013 0.525 . . . . 0.0 110.179 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -54.89 -50.03 88.48 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.259 -0.877 . . . . 0.0 113.322 -174.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.38 -25.01 71.17 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 122.117 1.878 . . . . 0.0 112.765 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.5 mm -69.12 -47.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.83 -46.01 80.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.538 0.735 . . . . 0.0 110.491 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.52 -34.9 73.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.78 0.832 . . . . 0.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -70.15 -53.73 15.99 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.484 0.714 . . . . 0.0 110.998 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' ILE . 90.9 t -55.49 -54.6 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.747 0.819 . . . . 0.0 111.338 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 42' ' ' LEU . 83.8 m-85 -84.44 -4.22 58.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 77.51 -9.91 1.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.392 1.077 . . . . 0.0 112.057 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.46 131.31 55.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.5 0.72 . . . . 0.0 110.757 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -86.13 -0.69 56.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.068 0.947 . . . . 0.0 113.432 -174.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -74.64 -15.82 60.8 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.151 0.432 . . . . 0.0 111.338 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -64.76 115.02 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.394 0.677 . . . . 0.0 110.784 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.05 132.24 66.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 mt -97.92 140.03 32.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.81 0.814 . . . . 0.0 111.933 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.6 p -136.36 178.38 7.11 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 126.214 1.805 . . . . 0.0 106.191 170.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.04 -49.79 75.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.422 0.289 . . . . 0.0 111.232 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -88.17 4.97 43.64 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 m -52.24 127.26 21.41 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.195 0.598 . . . . 0.0 110.387 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -141.16 161.31 38.18 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.388 0.675 . . . . 0.0 110.01 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -21.94 64.03 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.43 1.092 . . . . 0.0 113.683 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -35.39 76.58 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.044 0.938 . . . . 0.0 110.385 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.9 -15.01 58.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.714 0.805 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.98 107.96 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.09 -39.97 95.21 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.546 0.739 . . . . 0.0 111.306 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.14 58.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.768 0.827 . . . . 0.0 112.74 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.66 120.38 21.76 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.378 0.671 . . . . 0.0 110.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.4 m-20 -119.42 -172.2 2.27 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.3 1.44 . . . . 0.0 109.741 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.3 m -69.54 -45.41 68.86 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.037 0.935 . . . . 0.0 109.967 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.84 -32.8 74.53 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.866 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 19.5 m -68.59 -41.23 79.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.336 0.654 . . . . 0.0 110.27 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -62.52 -39.37 93.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.819 0.848 . . . . 0.0 110.46 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.8 mmm -73.12 -30.9 63.97 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.886 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.874 0.469 . . . . 0.0 110.136 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.8 mm? -61.99 -57.59 11.11 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.691 0.619 . . . . 0.0 110.487 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.23 -46.08 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 124.332 1.02 . . . . 0.0 111.172 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.77 -29.66 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.1 m -65.14 -40.55 94.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.673 0.389 . . . . 0.0 110.057 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 43.3 mt -71.32 -30.61 66.43 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.565 0.346 . . . . 0.0 110.777 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 7.9 mm-40 -62.33 -55.94 23.26 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.946 0.898 . . . . 0.0 110.722 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.48 -41.55 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.281 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -68.05 -53.56 24.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 0.0 112.161 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' HB3' HD21 ' A' ' 76' ' ' LEU . 90.9 m-85 -93.75 -3.0 52.97 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.862 0.465 . . . . 0.0 112.003 -175.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.96 24.66 14.67 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.01 1.324 . . . . 0.0 111.328 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' HB ' ' HD3' ' A' ' 75' ' ' LYS . 25.3 pt -97.49 -176.68 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.45 0.7 . . . . 0.0 109.852 -171.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -138.57 112.61 8.54 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.287 0.635 . . . . 0.0 110.154 -173.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.36 136.03 42.91 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -104.22 169.16 8.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.28 -35.6 75.91 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.123 0.569 . . . . 0.0 110.475 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.43 93.45 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 34.2 mt-10 -76.8 -24.34 52.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.656 0.782 . . . . 0.0 110.828 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 55' ' ' ALA . 1.2 mm? -67.32 -39.79 85.92 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.918 0.887 . . . . 0.0 109.192 172.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.2 -20.08 63.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.017 0.527 . . . . 0.0 111.393 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.01 -23.75 55.25 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.744 0.818 . . . . 0.0 111.055 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 51.6 mt -84.46 84.27 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.17 0.588 . . . . 0.0 109.65 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -88.37 -25.28 22.8 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.138 0.975 . . . . 0.0 109.342 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.53 176.49 11.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.435 0.694 . . . . 0.0 110.831 172.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' HA ' HD23 ' A' ' 68' ' ' LEU . 57.9 t -69.66 -15.52 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.257 1.023 . . . . 0.0 111.594 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.76 -27.52 73.61 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -78.47 -30.52 47.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.537 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.6 mm? -66.43 -35.53 80.53 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.73 0.695 . . . . 0.0 109.514 168.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.67 98.33 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.72 0.408 . . . . 0.0 109.902 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 25.5 t70 -63.22 -62.54 1.63 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.416 1.073 . . . . 0.0 110.637 177.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.08 -54.04 49.68 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.419 0.688 . . . . 0.0 111.195 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -57.46 -38.8 65.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.612 0.57 . . . . 0.0 110.421 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.31 -46.87 86.8 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.027 0.531 . . . . 0.0 111.546 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 71.2 mmtt -65.37 -34.61 78.71 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.721 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HD3' ' HB ' ' A' ' 52' ' ' ILE . 64.9 mttm -77.08 -38.41 52.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.765 0.826 . . . . 0.0 111.204 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 50' ' ' TYR . 84.8 mt -71.54 -23.6 61.8 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.579 0.549 . . . . 0.0 110.662 176.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -49.07 72.36 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.897 0.748 . . . . 0.0 109.568 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.7 mmt85 -66.98 -18.47 65.4 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.419 0.687 . . . . 0.0 112.284 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 122.911 0.484 . . . . 0.0 110.829 174.047 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 N--CA 1.486 1.036 0 N-CA-C 110.855 -0.479 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 73' ' ' ASP . 53.0 p -63.04 -75.67 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.829 -166.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.15 -30.59 71.71 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.534 0.734 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.66 -56.38 22.62 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.312 1.045 . . . . 0.0 111.138 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.79 73.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.701 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.87 -32.38 70.71 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.638 0.375 . . . . 0.0 111.554 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -54.92 -50.28 87.14 Favored Pre-proline 0 CA--C 1.573 1.849 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.179 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.9 -41.0 78.46 Favored 'Trans proline' 0 C--N 1.393 2.91 0 C-N-CA 122.786 2.324 . . . . 0.0 113.458 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.11 -53.05 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.244 0.618 . . . . 0.0 110.73 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.0 -46.9 79.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.614 0.765 . . . . 0.0 110.609 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.88 -28.93 70.38 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.863 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.3 -58.71 3.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.805 0.442 . . . . 0.0 110.37 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.6 t -56.28 -55.84 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 0.0 112.247 -174.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.96 -21.0 40.73 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.782 0.433 . . . . 0.0 110.651 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 t70 61.17 79.99 0.23 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.046 1.338 . . . . 0.0 110.51 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -167.58 125.84 1.25 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.861 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -73.4 -26.56 61.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.244 1.018 . . . . 0.0 111.784 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -72.62 -9.57 58.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.013 0.525 . . . . 0.0 112.175 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.1 101.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.6 t -116.91 110.75 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 65' ' ' VAL . 90.6 mt -91.08 129.81 37.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.107 0.48 . . . . 0.0 111.9 -169.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -128.33 169.73 13.9 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp-105 -74.61 0.3 15.46 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.14 -3.97 10.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.188 0.595 . . . . 0.0 111.403 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -62.42 138.94 58.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.5 p -150.65 -175.29 5.05 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 109.677 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -12.62 59.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -76.04 -33.61 59.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.75 -24.59 35.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.59 0.756 . . . . 0.0 111.451 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.0 100.07 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.81 -40.17 87.47 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.12 0.968 . . . . 0.0 111.432 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.4 21.37 0.95 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 112.511 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -86.18 76.15 9.78 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 121.814 -0.554 . . . . 0.0 109.98 174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.169 0.988 . . . . 0.0 111.673 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -63.84 -46.6 84.29 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.3 -29.23 67.04 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -71.19 -35.14 71.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.655 0.782 . . . . 0.0 109.811 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -66.88 -41.43 87.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 110.477 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.1 mmm -62.98 -40.43 97.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.81 0.444 . . . . 0.0 110.742 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.87 -35.5 80.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.777 0.673 . . . . 0.0 110.699 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -63.56 -49.05 74.93 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.747 0.819 . . . . 0.0 110.207 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.27 -49.6 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.516 0.727 . . . . 0.0 110.708 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.84 -24.84 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -70.22 -37.61 75.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.991 0.517 . . . . 0.0 110.809 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -36.46 79.33 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 122.861 0.464 . . . . 0.0 110.315 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.18 -59.49 5.23 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.874 0.869 . . . . 0.0 111.505 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.01 -41.48 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -68.86 -58.08 4.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.719 0.408 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -83.24 -15.41 50.44 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 mttp 58.9 43.92 17.35 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.251 1.02 . . . . 0.0 111.53 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.2 pt -105.76 -171.7 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.744 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.14 109.01 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.84 0.745 . . . . 0.0 111.109 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.426 ' HB3' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -88.34 127.58 35.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -92.44 138.33 31.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 164.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.08 -27.0 68.6 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.102 0.561 . . . . 0.0 109.644 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.68 93.52 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.429 -0.351 . . . . 0.0 112.587 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.7 mt-10 -68.63 -35.91 77.93 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.518 0.727 . . . . 0.0 111.166 174.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -61.49 -37.19 82.75 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.473 0.709 . . . . 0.0 111.581 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.553 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -63.15 -21.38 66.16 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.896 0.478 . . . . 0.0 111.911 175.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -92.65 -9.5 40.7 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.636 0.774 . . . . 0.0 110.723 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 59' ' ' LEU . 73.3 mt -97.6 110.32 22.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.334 0.653 . . . . 0.0 109.284 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -29.24 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.148 0.979 . . . . 0.0 110.692 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.36 177.31 9.79 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD22 ' A' ' 22' ' ' LEU . 47.0 t -64.77 -25.04 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 124.405 1.082 . . . . 0.0 111.091 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.31 96.92 Favored Glycine 0 C--N 1.344 1.005 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.23 -42.31 93.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.93 0.492 . . . . 0.0 109.939 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.31 -36.9 85.22 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.738 0.415 . . . . 0.0 111.115 175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -59.1 -59.02 6.13 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 -177.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.8 m-20 -59.62 -49.6 77.14 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.215 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 62' ' ' LEU . 2.2 tm? -68.27 -48.3 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.196 0.999 . . . . 0.0 112.217 -170.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 76.2 t -57.04 -39.65 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 175.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 3' ' ' THR . 27.1 t70 -74.4 -24.42 59.11 Favored 'General case' 0 CA--C 1.555 1.149 0 O-C-N 123.377 0.423 . . . . 0.0 111.65 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.9 mmtp -69.21 -31.04 69.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 71' ' ' LEU . 66.6 mttm -82.27 -22.32 35.8 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.21 175.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.0 mt -75.22 -27.89 59.73 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.62 -29.23 65.56 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.039 170.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 31.3 mmt180 -72.91 -26.39 61.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.225 0.61 . . . . 0.0 110.9 170.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mmmp? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.25 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo . . . . . 0 N--CA 1.486 1.078 0 CA-C-O 120.847 0.27 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 p -73.05 -76.54 0.12 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.082 0.953 . . . . 0.0 111.161 -166.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.03 -37.64 85.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.481 0.713 . . . . 0.0 110.416 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.05 -49.49 68.85 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.336 1.055 . . . . 0.0 111.731 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.4 -31.04 37.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.328 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 72' ' ' VAL . 83.9 mt -71.51 -32.99 68.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.722 0.409 . . . . 0.0 111.491 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 87.1 m -54.71 -51.51 78.2 Favored Pre-proline 0 CA--C 1.568 1.658 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.981 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 38.4 Cg_exo -60.94 -26.76 83.71 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 122.329 2.02 . . . . 0.0 113.879 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.79 -53.55 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.22 -44.89 78.42 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.16 0.584 . . . . 0.0 110.301 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -55.01 -38.96 68.58 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.447 0.699 . . . . 0.0 111.85 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -72.32 -58.7 3.19 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 111.293 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 42' ' ' LEU . 98.3 t -61.14 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 124.159 0.983 . . . . 0.0 112.352 -172.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.403 ' CE2' HD21 ' A' ' 42' ' ' LEU . 89.7 m-85 -80.31 -23.29 40.76 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.288 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 t70 59.66 70.58 0.63 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.303 1.002 . . . . 0.0 109.054 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.54 117.5 2.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.013 -176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.91 -20.14 59.84 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.382 1.073 . . . . 0.0 112.346 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m -75.93 -7.01 53.57 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.076 -0.39 . . . . 0.0 112.049 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.07 106.7 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.06 0.544 . . . . 0.0 110.11 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.46 103.82 14.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 174.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.96 130.84 45.69 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.467 0.707 . . . . 0.0 112.435 -171.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -119.35 170.42 9.14 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -66.34 -21.16 66.24 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.406 174.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.61 -2.74 29.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 0.0 112.441 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . 98.5 m -60.79 120.6 10.42 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.496 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 89.7 p -136.84 175.46 9.6 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.759 0.823 . . . . 0.0 110.409 -175.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.19 64.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.862 0.865 . . . . 0.0 112.106 172.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -73.35 -35.65 66.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.385 1.074 . . . . 0.0 111.196 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 27' ' ' SER . 38.9 t70 -74.73 -20.44 59.83 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.64 1.176 . . . . 0.0 113.322 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HE3' ' A' ' 34' ' ' TRP . 52.9 mt -120.16 121.5 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.14 -34.95 75.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.935 0.894 . . . . 0.0 111.428 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.09 9.73 5.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.402 ' HE3' ' HB ' ' A' ' 31' ' ' ILE . 2.6 t90 -96.4 121.51 38.28 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.3 166.41 14.71 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.587 1.155 . . . . 0.0 108.643 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -63.83 -31.5 72.7 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.16 0.584 . . . . 0.0 110.066 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.55 -42.66 92.87 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.556 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -63.95 -37.8 88.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.63 0.772 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 85.4 m-70 -56.37 -44.39 80.12 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.839 0.712 . . . . 0.0 112.014 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.2 mmm -61.39 -29.99 70.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.525 0.202 . . . . 0.0 111.54 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -74.03 -33.59 63.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.275 0.63 . . . . 0.0 110.886 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.524 HD22 HG11 ' A' ' 14' ' ' VAL . 3.8 mm? -60.76 -56.48 20.69 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.221 0.608 . . . . 0.0 109.874 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.02 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.708 1.255 . . . . 0.0 110.065 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.1 -32.79 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -69.37 -39.8 77.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.914 0.485 . . . . 0.0 111.102 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 83.5 mt -68.02 -36.54 80.11 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.9 mm-40 -70.38 -38.21 74.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.035 0.934 . . . . 0.0 112.02 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.9 -47.07 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -66.24 -44.54 83.48 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.85 0.46 . . . . 0.0 111.53 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -93.19 -5.74 49.36 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.921 -0.562 . . . . 0.0 111.263 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.288 0.0 OUTLIER 43.08 41.7 2.89 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 125.371 1.469 . . . . 0.0 112.754 -174.734 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.734 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 24.1 pt -104.27 -173.97 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.074 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -144.14 106.46 4.39 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.549 0.339 . . . . 0.0 110.235 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -88.03 155.74 19.66 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.886 0.874 . . . . 0.0 108.712 164.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.35 148.0 33.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 165.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.33 -26.8 68.93 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -58.42 -44.03 95.49 Favored Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 170.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.15 93.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.501 0.72 . . . . 0.0 110.301 174.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -57.77 -42.52 84.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.385 0.674 . . . . 0.0 111.368 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -67.42 -24.35 65.64 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.843 0.457 . . . . 0.0 111.356 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 39.0 mmtm -81.83 -12.81 58.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.211 0.605 . . . . 0.0 111.227 176.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 67' ' ' ASP . 16.1 mt -84.13 144.63 28.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -118.49 -34.49 4.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.474 0.709 . . . . 0.0 110.033 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.44 177.95 10.06 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.774 0.83 . . . . 0.0 111.18 -172.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -72.62 -10.13 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 124.22 1.008 . . . . 0.0 111.162 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.07 -33.45 87.14 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.635 ' HB3' HD22 ' A' ' 62' ' ' LEU . 17.3 m-20 -73.57 -37.68 65.43 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.452 0.701 . . . . 0.0 110.65 174.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.8 mm? -63.64 -40.24 96.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 117.721 0.237 . . . . 0.0 110.432 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.4 88.83 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.871 0.469 . . . . 0.0 109.827 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.2 t70 -64.58 -59.07 4.72 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.484 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' HE2' ' A' ' 75' ' ' LYS . 4.1 mm? -63.41 -50.68 68.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.325 0.65 . . . . 0.0 111.606 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 7' ' ' LEU . 93.7 t -55.82 -44.31 77.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 123.759 0.662 . . . . 0.0 110.41 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.02 -45.34 90.95 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.329 0.585 . . . . 0.0 111.776 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 74.2 mmtt -69.23 -39.43 78.54 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.017 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HE2' HD12 ' A' ' 71' ' ' LEU . 68.5 mttm -73.97 -38.35 64.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.442 0.697 . . . . 0.0 110.612 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 80.5 mt -61.17 -41.73 97.3 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.01 77.42 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.505 0.722 . . . . 0.0 111.466 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.7 mmt180 -69.96 -31.64 69.46 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.148 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.734 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 74.6 mmtt . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.825 0.85 . . . . 0.0 111.694 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 N--CA 1.489 1.246 0 N-CA-C 114.371 0.873 . . . . 0.0 114.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 p -70.47 -68.31 0.44 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.77 -172.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.26 -36.33 63.48 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 118.78 0.718 . . . . 0.0 111.929 -172.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.68 -50.71 65.24 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.337 1.055 . . . . 0.0 111.67 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.42 -23.84 34.66 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.873 0.869 . . . . 0.0 111.576 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.29 -34.11 42.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.265 0.626 . . . . 0.0 110.896 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -55.11 -47.44 98.5 Favored Pre-proline 0 CA--C 1.572 1.799 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.514 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.26 -41.74 57.14 Favored 'Trans proline' 0 C--N 1.393 2.869 0 C-N-CA 122.8 2.333 . . . . 0.0 113.516 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.44 HG21 HD23 ' A' ' 46' ' ' LEU . 34.8 mm -65.5 -51.02 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.055 0.542 . . . . 0.0 110.038 -175.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.47 -39.13 93.65 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.789 0.681 . . . . 0.0 110.829 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.49 ' NH2' HG22 ' A' ' 21' ' ' VAL . 90.2 mtt180 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.189 0.196 . . . . 0.0 111.247 177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -74.81 -47.31 31.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.275 0.23 . . . . 0.0 111.545 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.59 -54.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.187 0.995 . . . . 0.0 111.325 177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.91 -3.96 57.6 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.504 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.06 8.38 6.47 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.76 1.224 . . . . 0.0 111.146 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.04 165.73 12.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.582 1.153 . . . . 0.0 111.054 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -112.11 -40.93 4.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.504 1.121 . . . . 0.0 110.065 -175.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 m -80.83 -5.69 57.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.949 0.9 . . . . 0.0 112.771 -166.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -66.61 108.73 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.696 0.399 . . . . 0.0 110.205 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.49 HG22 ' NH2' ' A' ' 12' ' ' ARG . 43.0 t -127.87 98.88 4.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 HG11 ' A' ' 65' ' ' VAL . 98.3 mt -59.18 145.14 43.7 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -165.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 p -137.17 169.38 17.87 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.615 -1.175 . . . . 0.0 107.915 168.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.91 -37.45 76.68 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.358 0.663 . . . . 0.0 112.496 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.54 0.89 53.53 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 65' ' ' VAL . 22.6 m -61.62 93.68 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.916 0.486 . . . . 0.0 111.254 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -92.44 170.45 9.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.225 0.61 . . . . 0.0 110.114 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.34 -11.86 58.73 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.713 0.405 . . . . 0.0 111.859 169.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.31 -23.4 40.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.75 0.82 . . . . 0.0 110.636 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.73 -17.89 34.62 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.633 0.773 . . . . 0.0 112.283 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.06 116.24 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.04 -30.26 62.33 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.406 0.282 . . . . 0.0 111.091 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.33 -26.25 67.96 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.63 0.772 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -75.93 114.76 14.93 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -132.92 175.51 9.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.313 1.445 . . . . 0.0 107.993 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -50.71 -38.7 48.69 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.839 0.855 . . . . 0.0 111.563 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.16 -40.6 90.65 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.142 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 m -70.92 -30.28 66.56 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.461 0.704 . . . . 0.0 111.25 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -60.12 -45.41 93.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.257 0.623 . . . . 0.0 110.744 172.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.47 -45.62 93.07 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.698 0.624 . . . . 0.0 110.568 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.45 -44.8 96.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.816 0.846 . . . . 0.0 111.293 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.94 -45.76 80.64 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.657 0.783 . . . . 0.0 110.826 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.6 mp -68.8 -45.53 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.531 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.93 -28.41 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.29 0.495 . . . . 0.0 111.461 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.4 -43.43 94.45 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.59 0.556 . . . . 0.0 110.936 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.44 HD23 HG21 ' A' ' 10' ' ' ILE . 59.0 mt -68.54 -33.73 74.62 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.401 -0.187 . . . . 0.0 110.707 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 56.1 mm-40 -57.59 -56.57 20.22 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.187 0.995 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.12 -40.85 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -67.22 -51.74 49.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.585 0.354 . . . . 0.0 111.699 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -93.98 -2.74 52.67 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.075 0.55 . . . . 0.0 112.139 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 65.44 25.26 11.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.759 1.224 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.0 pt -102.78 178.64 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.222 0.609 . . . . 0.0 110.771 -168.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -147.68 116.08 6.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -95.37 147.89 23.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.108 0.963 . . . . 0.0 109.125 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 158.19 15.56 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 167.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -32.49 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.52 89.08 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 113.168 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -71.89 -33.8 68.65 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.759 0.424 . . . . 0.0 110.764 175.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.45 -31.07 70.98 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.149 0.58 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -58.88 -34.93 72.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.41 0.684 . . . . 0.0 111.274 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -87.63 3.69 46.76 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.034 0.534 . . . . 0.0 112.085 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -99.28 98.03 9.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.81 -29.61 17.48 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.919 0.888 . . . . 0.0 109.256 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.93 178.55 10.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.272 0.629 . . . . 0.0 111.146 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 22' ' ' LEU . 25.7 t -68.52 -16.66 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.627 0.771 . . . . 0.0 111.504 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.99 -31.31 72.35 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 27.1 m-20 -68.38 -38.43 81.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.17 -30.21 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.047 0.539 . . . . 0.0 111.24 173.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -52.24 65.14 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 6.7 m-20 -70.03 -38.47 75.88 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.87 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.03 -53.6 19.61 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 123.383 0.673 . . . . 0.0 109.924 -173.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 47.5 t -65.61 -28.43 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.101 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -36.2 83.36 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 122.937 0.495 . . . . 0.0 110.961 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.6 mmmt -60.18 -44.29 95.17 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 74.9 mmtt -71.74 -36.56 70.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.169 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 68.8 mt -70.14 -36.49 74.81 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.28 0.632 . . . . 0.0 110.09 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -35.39 72.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.825 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.53 -33.14 62.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.627 0.371 . . . . 0.0 110.992 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.3 mmtt . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 123.636 0.774 . . . . 0.0 112.23 177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo . . . . . 0 CA--C 1.544 0.989 0 N-CA-C 113.18 0.415 . . . . 0.0 113.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 73' ' ' ASP . 46.2 p -73.72 -65.02 0.88 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.826 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.07 -40.0 63.72 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 123.292 0.637 . . . . 0.0 110.766 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.37 -47.41 81.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.61 1.164 . . . . 0.0 111.706 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.73 55.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.249 0.62 . . . . 0.0 111.928 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 72' ' ' VAL . 85.7 mt -79.58 -32.88 42.07 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 123.099 0.559 . . . . 0.0 110.593 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -56.62 -47.29 99.25 Favored Pre-proline 0 CA--C 1.57 1.733 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.985 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.03 -32.49 93.31 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.778 2.319 . . . . 0.0 113.766 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.91 -43.87 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.035 0.534 . . . . 0.0 109.93 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.36 -42.56 75.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.475 0.71 . . . . 0.0 110.373 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.78 -23.93 67.56 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.006 0.522 . . . . 0.0 111.803 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -80.25 -59.84 2.55 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.25 0.62 . . . . 0.0 110.391 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.6 -54.52 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 125.067 1.347 . . . . 0.0 112.23 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -83.37 -23.29 32.5 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.256 0.622 . . . . 0.0 110.8 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 t70 61.21 80.21 0.23 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.414 1.071 . . . . 0.0 110.394 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -163.89 115.03 1.34 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.888 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.88 -29.71 69.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.732 1.213 . . . . 0.0 112.494 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -78.31 -18.56 55.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.986 -0.531 . . . . 0.0 111.981 -168.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.51 114.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 122.868 0.467 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.82 107.58 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 65' ' ' VAL . 89.1 mt -73.59 141.29 46.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -170.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -131.81 174.69 9.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 125.403 1.481 . . . . 0.0 107.053 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -66.98 -28.25 68.11 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.879 0.472 . . . . 0.0 111.592 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -96.8 -8.78 30.24 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.993 0.517 . . . . 0.0 111.66 -174.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -58.77 139.86 55.7 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.6 p -158.47 -179.48 8.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.724 0.81 . . . . 0.0 109.373 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.7 56.0 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.813 0.445 . . . . 0.0 111.567 171.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.91 -31.09 31.56 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.87 -17.74 24.81 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.982 1.313 . . . . 0.0 111.463 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.2 mt -118.85 100.79 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.78 -31.46 72.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.878 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.46 8.43 4.26 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -111.35 131.01 55.5 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.671 0.789 . . . . 0.0 110.233 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.15 171.27 11.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.738 1.215 . . . . 0.0 109.862 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.7 p -73.7 -17.32 61.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.4 0.68 . . . . 0.0 111.71 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.34 -41.72 84.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 165.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -73.38 -25.57 60.62 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.864 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -57.21 -41.63 79.79 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.136 0.574 . . . . 0.0 110.805 171.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.6 mmt -60.82 -49.03 79.11 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.545 0.528 . . . . 0.0 110.674 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.85 -46.7 88.45 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.375 1.047 . . . . 0.0 110.947 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.2 -52.4 59.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.374 1.07 . . . . 0.0 110.941 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -62.08 -46.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.444 0.698 . . . . 0.0 110.794 -175.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.36 -27.6 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.097 0.408 . . . . 0.0 112.062 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -62.49 -42.23 99.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.918 0.487 . . . . 0.0 110.382 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.411 HD22 ' HE2' ' A' ' 50' ' ' TYR . 50.5 mt -71.06 -33.95 70.74 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.752 0.421 . . . . 0.0 111.484 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.5 mm-40 -61.02 -51.69 68.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.777 0.831 . . . . 0.0 110.529 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.76 -37.1 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -67.24 -57.19 7.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.279 0.632 . . . . 0.0 112.306 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' HE2' HD22 ' A' ' 46' ' ' LEU . 62.2 m-85 -92.3 -2.69 56.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.472 -173.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 61.8 33.41 17.76 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.116 0.966 . . . . 0.0 110.926 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 75' ' ' LYS . 29.0 pt -107.19 176.21 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 0.0 110.386 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -140.92 105.8 4.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -82.3 133.88 35.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.07 152.35 18.84 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.8 tm? -57.86 -29.33 64.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.313 0.645 . . . . 0.0 110.587 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -38.11 95.5 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.189 0.306 . . . . 0.0 112.963 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.71 -25.79 53.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.762 0.825 . . . . 0.0 110.756 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 62' ' ' LEU . 3.1 mm? -68.37 -37.08 80.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.023 0.929 . . . . 0.0 110.375 172.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -61.6 -18.0 57.52 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.162 0.585 . . . . 0.0 112.318 171.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -95.46 -0.03 52.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.404 0.682 . . . . 0.0 112.453 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 59' ' ' LEU . 70.8 mt -98.11 93.45 6.28 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.295 0.498 . . . . 0.0 109.993 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -102.63 -30.89 10.66 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.687 0.795 . . . . 0.0 109.351 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -134.64 170.73 15.37 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.23 0.612 . . . . 0.0 109.479 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 22' ' ' LEU . 21.9 t -66.96 -20.58 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.808 0.843 . . . . 0.0 110.098 170.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.65 -42.33 87.92 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.93 -42.51 99.19 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.25 0.62 . . . . 0.0 110.33 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.6 tp -68.59 -29.47 68.01 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.87 75.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.363 0.665 . . . . 0.0 109.929 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 71.8 m-20 -64.45 -45.98 85.08 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.828 173.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -64.06 -49.63 71.57 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.061 0.85 . . . . 0.0 110.375 -173.602 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 7' ' ' LEU . 71.0 t -59.62 -40.44 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.785 0.834 . . . . 0.0 110.298 175.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.562 ' HB2' HG21 ' A' ' 3' ' ' THR . 15.5 t70 -64.67 -35.37 80.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.173 0.589 . . . . 0.0 110.98 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.6 mmmt -67.15 -37.26 83.49 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.25 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 75.2 mmtt -70.61 -38.03 73.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.518 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 78.7 mt -74.27 -22.29 59.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.505 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.85 83.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.286 0.634 . . . . 0.0 109.701 169.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 21.2 mmt180 -68.47 -34.07 75.29 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.873 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.38 0.672 . . . . 0.0 110.176 179.178 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 CA--C 1.542 0.889 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -65.68 -61.44 2.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 69' ' ' ALA . 83.8 mt -56.1 -37.3 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.398 1.061 . . . . 0.0 110.683 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.72 -46.59 89.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.04 0.936 . . . . 0.0 111.595 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -31.55 67.93 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.688 0.795 . . . . 0.0 111.325 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 3' ' ' THR . 88.4 mt -77.89 -30.02 50.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -54.51 -47.59 97.35 Favored Pre-proline 0 N--CA 1.493 1.696 0 CA-C-O 118.058 -0.972 . . . . 0.0 113.463 -172.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.86 -31.62 91.83 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.162 1.908 . . . . 0.0 113.232 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 46' ' ' LEU . 28.4 mm -67.57 -44.67 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.939 0.495 . . . . 0.0 109.816 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 7' ' ' LEU . 6.1 m-85 -69.16 -38.58 78.83 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.247 0.619 . . . . 0.0 110.67 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.9 -23.42 64.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.867 0.467 . . . . 0.0 111.828 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -77.3 -58.17 3.42 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.399 0.679 . . . . 0.0 110.442 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LEU . 65.4 t -60.06 -52.41 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 111.941 -176.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -82.82 -11.15 58.48 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.42 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.47 80.63 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.179 0.991 . . . . 0.0 110.344 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -164.76 173.98 11.2 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.44 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -133.5 -27.51 1.53 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.785 0.834 . . . . 0.0 110.867 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -82.79 -16.01 49.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.664 0.786 . . . . 0.0 112.042 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -67.05 106.2 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.74 111.1 34.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 HG11 ' A' ' 65' ' ' VAL . 57.1 mt -64.31 130.38 43.59 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.199 0.312 . . . . 0.0 111.585 -169.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.4 p -125.48 167.42 15.04 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -66.48 -15.32 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.36 0.664 . . . . 0.0 112.234 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.01 -4.38 15.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.919 0.887 . . . . 0.0 112.331 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.1 m -58.67 134.03 56.43 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.581 0.352 . . . . 0.0 110.501 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.434 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 51.4 p -167.17 -170.72 1.57 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.602 0.761 . . . . 0.0 109.611 -173.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' HB3' ' A' ' 34' ' ' TRP . . . -77.06 4.58 9.84 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 168.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -96.13 -39.71 9.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HB3' ' H ' ' A' ' 27' ' ' SER . 32.5 t70 -74.08 -33.8 63.78 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.183 172.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.4 mt -121.15 102.3 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.82 -25.96 68.41 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.452 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.96 -4.58 57.0 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 2.1 t90 -80.56 85.31 5.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.263 0.625 . . . . 0.0 110.211 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.31 161.15 28.98 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.804 168.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -69.38 -23.43 63.74 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.832 0.707 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -48.12 81.99 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.204 0.601 . . . . 0.0 109.538 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 m -73.86 -30.04 62.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.423 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.62 -48.32 79.92 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mmm -67.32 -40.17 85.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.62 0.368 . . . . 0.0 110.43 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.99 -37.5 74.36 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.107 0.88 . . . . 0.0 110.766 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 11' ' ' PHE . 3.2 tm? -66.81 -52.59 42.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.413 0.685 . . . . 0.0 110.738 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.634 HG12 HD22 ' A' ' 59' ' ' LEU . 1.7 mp -61.22 -44.71 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.29 0.636 . . . . 0.0 111.043 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.21 -28.7 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 123.048 0.218 . . . . 0.0 111.57 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -63.79 -41.0 98.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.826 0.45 . . . . 0.0 110.757 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 10' ' ' ILE . 61.6 mt -64.61 -40.26 95.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.56 -54.05 45.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.706 0.802 . . . . 0.0 111.802 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.88 -38.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.48 -56.14 12.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.297 0.639 . . . . 0.0 111.841 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 76' ' ' LEU . 97.4 m-85 -87.89 -0.58 57.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 63.02 33.78 14.48 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.505 1.122 . . . . 0.0 110.336 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 20.7 pt -110.24 -175.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.97 0.908 . . . . 0.0 109.69 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.41 122.16 5.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.236 0.214 . . . . 0.0 110.432 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.597 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 82.6 m-85 -105.23 142.45 34.98 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.156 0.982 . . . . 0.0 108.534 171.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.79 152.51 20.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.582 0.753 . . . . 0.0 109.195 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.32 -35.33 62.57 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.375 1.07 . . . . 0.0 112.545 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.39 99.47 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.321 0.388 . . . . 0.0 112.462 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.05 -30.26 70.28 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.949 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 43' ' ' ILE . 29.9 mt -67.84 -37.93 82.53 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.966 0.506 . . . . 0.0 110.48 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -69.78 -8.53 48.93 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.256 0.622 . . . . 0.0 112.097 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -97.6 -9.88 26.14 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.388 0.675 . . . . 0.0 110.684 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD21 ' HG ' ' A' ' 71' ' ' LEU . 88.5 mt -82.28 85.94 6.76 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -80.85 -32.49 35.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.09 0.472 . . . . 0.0 110.459 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -141.41 173.51 11.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.323 1.049 . . . . 0.0 109.509 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 22' ' ' LEU . 31.4 t -74.16 -12.33 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.032 0.933 . . . . 0.0 110.522 174.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.07 91.25 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.9 -38.19 88.08 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.217 0.607 . . . . 0.0 110.384 172.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.74 -33.83 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.604 0.362 . . . . 0.0 111.243 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -59.07 -51.81 68.45 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 4.3 m-20 -62.82 -51.8 65.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.639 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.597 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.4 mm? -61.04 -53.78 52.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.848 0.859 . . . . 0.0 111.332 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 96.9 t -57.22 -40.68 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.014 0.526 . . . . 0.0 110.444 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.52 -37.95 82.82 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.891 0.476 . . . . 0.0 111.763 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 73.0 mmtt -69.45 -39.07 78.0 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.378 0.424 . . . . 0.0 110.284 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.3 mmtt -70.72 -38.2 73.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.248 0.619 . . . . 0.0 110.631 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 57.3 mt -75.84 -26.32 57.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.415 0.686 . . . . 0.0 110.805 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.74 87.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.841 0.457 . . . . 0.0 109.855 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.5 mmm180 -69.45 -28.0 65.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.19 0.596 . . . . 0.0 110.681 173.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 123.958 0.903 . . . . 0.0 113.149 178.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo . . . . . 0 N--CA 1.491 1.363 0 CA-C-O 120.953 0.314 . . . . 0.0 112.666 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 17.0 m -74.63 -51.9 13.17 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.158 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 69' ' ' ALA . 85.0 mt -57.72 -42.2 83.3 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.688 0.395 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -55.01 -50.39 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.058 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.29 89.26 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.8 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 46' ' ' LEU . 72.6 mt -75.0 -27.07 60.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.175 0.59 . . . . 0.0 111.416 -175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.457 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 95.8 m -56.07 -50.98 84.24 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.698 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.1 Cg_exo -59.5 -28.86 88.56 Favored 'Trans proline' 0 C--N 1.394 2.923 0 C-N-CA 122.411 2.074 . . . . 0.0 113.723 172.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.59 HG21 HD23 ' A' ' 46' ' ' LEU . 14.3 mm -71.02 -42.66 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.56 -47.01 77.31 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.322 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.53 -20.88 65.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.36 0.664 . . . . 0.0 112.131 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.5 -59.42 2.73 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.322 0.649 . . . . 0.0 110.291 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.2 t -58.12 -54.31 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.597 1.159 . . . . 0.0 112.04 -173.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.98 -23.04 28.9 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.985 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.16 82.96 0.14 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.77 1.228 . . . . 0.0 110.347 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.64 166.73 26.38 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 -171.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.75 -24.49 7.17 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.734 0.813 . . . . 0.0 110.192 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 m -80.38 -8.55 59.56 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.914 0.886 . . . . 0.0 111.455 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.89 99.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.33 96.91 4.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 65' ' ' VAL . 92.7 mt -66.24 136.63 56.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.944 -167.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -134.32 172.76 12.43 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -62.54 -41.77 99.1 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.86 0.5 57.47 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 65' ' ' VAL . 91.6 m -58.08 98.91 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.416 0.686 . . . . 0.0 112.069 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -95.09 172.64 8.01 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.369 0.604 . . . . 0.0 110.883 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -22.69 62.46 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.263 166.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -78.81 -31.08 45.73 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.526 0.73 . . . . 0.0 110.197 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.37 -30.29 67.17 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.995 0.918 . . . . 0.0 111.166 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.5 107.4 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.06 -36.96 78.47 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.252 0.621 . . . . 0.0 110.694 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.53 -16.95 64.19 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.069 0.948 . . . . 0.0 112.916 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -91.39 63.52 4.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.332 0.653 . . . . 0.0 110.424 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.48 163.51 27.89 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.742 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -46.29 -40.7 12.09 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.66 1.184 . . . . 0.0 112.407 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 37' ' ' LEU . 2.3 mm? -64.42 -44.8 90.06 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.789 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -69.78 -28.66 65.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.652 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -59.49 -46.58 88.4 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.45 0.7 . . . . 0.0 110.551 172.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.1 mmm -58.31 -45.73 87.47 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.622 0.576 . . . . 0.0 110.886 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -67.43 -38.85 85.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.411 0.684 . . . . 0.0 111.427 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -64.03 -50.75 67.24 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.682 0.793 . . . . 0.0 110.968 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.7 mp -65.23 -45.74 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.905 0.882 . . . . 0.0 110.633 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.36 -25.86 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 118.009 0.368 . . . . 0.0 111.83 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -68.73 -38.86 80.49 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.807 0.443 . . . . 0.0 110.971 171.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.59 HD23 HG21 ' A' ' 10' ' ' ILE . 81.7 mt -63.16 -37.09 85.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 44.1 mt-10 -67.8 -49.32 62.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.495 0.718 . . . . 0.0 111.678 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -38.03 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -64.94 -58.35 6.36 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.657 0.383 . . . . 0.0 111.631 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -90.04 -4.33 57.45 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.033 0.533 . . . . 0.0 112.397 -171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.63 47.46 22.55 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.396 1.078 . . . . 0.0 110.547 -175.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.48 156.8 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.948 0.899 . . . . 0.0 109.765 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -111.8 116.2 30.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.051 0.94 . . . . 0.0 108.534 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -95.61 126.48 40.92 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.87 148.76 21.83 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.96 -35.6 69.32 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.099 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -57.54 -49.93 69.35 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.829 0.705 . . . . 0.0 112.483 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.26 -35.72 76.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.919 0.888 . . . . 0.0 111.46 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.75 -36.89 81.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.487 0.715 . . . . 0.0 111.621 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -73.96 -21.12 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.734 0.414 . . . . 0.0 111.367 174.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 28.8 mmmt -80.87 -11.14 59.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.515 0.326 . . . . 0.0 111.303 174.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.5 mt -79.11 139.29 38.1 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -120.38 -36.77 3.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.839 0.856 . . . . 0.0 109.301 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -177.11 6.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.894 0.877 . . . . 0.0 110.827 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 22' ' ' LEU . 20.7 t -71.49 -15.59 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.216 0.606 . . . . 0.0 111.243 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.78 -32.19 73.82 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 171.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -68.36 -41.08 81.15 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.83 -28.69 69.73 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.135 0.574 . . . . 0.0 111.42 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -65.49 -52.04 55.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.59 0.709 . . . . 0.0 109.455 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 22.9 t70 -64.93 -46.75 80.33 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.967 -1.469 . . . . 0.0 110.223 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.23 -53.07 18.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.955 1.302 . . . . 0.0 111.614 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.435 HG11 HD21 ' A' ' 7' ' ' LEU . 49.4 t -66.35 -27.17 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 117.913 0.324 . . . . 0.0 110.61 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.66 -30.28 65.55 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 72.8 mmtt -67.49 -35.0 78.3 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.1 mmtt -63.81 -46.9 83.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.206 0.602 . . . . 0.0 109.776 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.15 -26.7 66.79 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.7 0.8 . . . . 0.0 110.901 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 -19.78 58.26 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.234 1.014 . . . . 0.0 110.822 175.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 25.7 mmm180 -85.7 -28.7 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.179 0.592 . . . . 0.0 110.808 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.8 mmtt . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 N-CA-C 113.895 0.691 . . . . 0.0 113.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -58.69 3.12 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.98 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.446 HD23 HD12 ' A' ' 7' ' ' LEU . 87.8 mt -53.06 -36.42 60.6 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.901 0.88 . . . . 0.0 112.534 -173.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.13 -54.28 38.05 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.639 1.176 . . . . 0.0 110.823 172.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.46 -26.42 60.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.405 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 4' ' ' LEU . 67.7 mt -76.96 -29.84 55.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.505 0.722 . . . . 0.0 110.972 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.452 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 92.2 m -53.21 -51.62 73.59 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.596 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.4 Cg_exo -59.05 -33.01 98.47 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 122.302 2.001 . . . . 0.0 113.225 173.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.9 -55.21 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.949 0.5 . . . . 0.0 110.375 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -42.95 88.91 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.697 0.799 . . . . 0.0 110.595 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -64.42 -25.26 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.733 0.413 . . . . 0.0 111.885 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -79.46 -52.07 8.52 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.307 0.503 . . . . 0.0 110.515 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 42' ' ' LEU . 77.2 t -56.77 -51.44 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.811 1.245 . . . . 0.0 112.158 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.76 -17.89 39.66 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.887 0.475 . . . . 0.0 111.361 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t70 62.21 77.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.897 1.279 . . . . 0.0 110.458 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -161.07 176.83 10.92 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.117 -172.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -136.05 -22.21 1.39 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.541 0.736 . . . . 0.0 111.051 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 m -89.55 -3.14 58.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.693 0.797 . . . . 0.0 111.317 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.88 104.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.5 101.19 12.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD22 HG11 ' A' ' 65' ' ' VAL . 93.4 mt -74.97 140.53 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.057 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -136.3 173.0 12.19 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -78.74 7.86 6.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.199 0.6 . . . . 0.0 111.575 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -126.98 -7.23 6.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.861 0.864 . . . . 0.0 111.807 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 64' ' ' ASN . 96.8 m -58.88 127.45 32.29 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.102 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.9 p -136.64 -172.53 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.853 0.861 . . . . 0.0 110.524 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -18.09 11.8 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 168.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.81 -42.27 86.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.004 0.521 . . . . 0.0 110.384 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.18 -28.6 31.98 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.745 0.818 . . . . 0.0 110.395 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -117.29 88.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.61 -28.4 67.15 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.672 0.789 . . . . 0.0 111.878 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.17 60.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.586 1.154 . . . . 0.0 112.841 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -74.39 118.54 17.46 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.3 0.572 . . . . 0.0 110.003 -176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -120.56 -179.25 3.92 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.949 1.7 . . . . 0.0 107.961 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.0 m -74.56 -18.87 60.52 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.95 -0.469 . . . . 0.0 111.605 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.29 -36.77 61.12 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 169.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.33 -35.28 79.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.724 0.409 . . . . 0.0 110.632 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.89 -52.45 49.7 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.58 0.752 . . . . 0.0 110.239 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.4 mmm -65.57 -44.56 86.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 -174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -60.1 -49.34 78.05 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.788 0.68 . . . . 0.0 110.618 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.1 tm? -64.62 -45.22 87.81 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.429 1.091 . . . . 0.0 110.992 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.5 mp -69.6 -44.53 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.691 0.797 . . . . 0.0 111.249 -174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.65 -28.4 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.969 0.35 . . . . 0.0 110.949 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.1 m -63.74 -41.26 98.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.285 0.634 . . . . 0.0 110.605 171.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 52' ' ' ILE . 88.3 mt -66.35 -39.2 89.03 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 51.4 mt-10 -67.83 -45.99 73.09 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.253 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -74.81 -39.3 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -70.74 -55.64 8.17 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.011 0.524 . . . . 0.0 111.577 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HB3' HD21 ' A' ' 76' ' ' LEU . 84.0 m-85 -88.68 -6.78 57.24 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.348 0.659 . . . . 0.0 112.269 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.31 22.33 9.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.076 0.95 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 46' ' ' LEU . 21.4 pt -98.18 -174.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.777 0.831 . . . . 0.0 109.11 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -149.05 125.66 11.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.875 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -109.25 136.36 48.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -98.05 164.1 12.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.26 -28.03 66.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.026 0.531 . . . . 0.0 109.901 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -39.9 98.06 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.324 0.39 . . . . 0.0 112.893 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.9 mm-40 -66.66 -39.19 88.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.125 0.57 . . . . 0.0 110.0 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 62' ' ' LEU . 3.9 mm? -60.43 -36.68 78.77 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.447 1.099 . . . . 0.0 111.672 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.3 -35.43 79.03 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.223 0.609 . . . . 0.0 111.502 171.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -77.41 -14.46 59.7 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.096 0.558 . . . . 0.0 111.485 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 81.1 mt -87.23 95.58 10.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.307 0.643 . . . . 0.0 109.712 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -100.69 -15.09 17.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.067 175.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 66' ' ' GLY . 6.7 p-10 -164.84 174.56 10.49 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.968 0.413 . . . . 0.0 111.228 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HD22 ' A' ' 22' ' ' LEU . 59.2 t -62.99 -21.73 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 124.999 1.319 . . . . 0.0 111.876 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 64' ' ' ASN . . . -68.4 -32.76 75.98 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.068 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.68 -41.07 84.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.216 -0.421 . . . . 0.0 109.99 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.0 -38.62 86.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 117.855 0.298 . . . . 0.0 110.498 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.932 0.493 . . . . 0.0 110.13 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.35 -58.09 7.47 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.287 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.91 -48.6 78.26 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.617 0.573 . . . . 0.0 111.724 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.82 -41.44 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 122.977 0.511 . . . . 0.0 110.511 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.25 -39.98 93.39 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -67.97 -37.98 82.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.045 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -77.53 -27.79 51.78 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 50' ' ' TYR . 58.2 mt -76.7 -23.73 53.14 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.737 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.961 0.504 . . . . 0.0 110.246 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -73.62 -33.76 64.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.425 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 76' ' ' LEU . 5.5 mmtm . . . . . 0 N--CA 1.485 1.295 0 C-N-CA 123.738 0.815 . . . . 0.0 112.086 178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo . . . . . 0 N--CA 1.485 1.007 0 CA-C-O 120.474 0.114 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.657 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 3.1 p -54.55 -75.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.062 0.945 . . . . 0.0 113.492 -166.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -77.17 -34.93 56.26 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.859 0.754 . . . . 0.0 110.45 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.3 -54.96 24.81 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 125.224 1.409 . . . . 0.0 112.272 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.17 -24.09 57.82 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.72 -175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 3' ' ' THR . 28.4 mt -77.87 -27.8 49.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.192 -0.432 . . . . 0.0 112.109 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -58.07 -47.29 99.12 Favored Pre-proline 0 CA--C 1.574 1.894 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.818 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.45 -29.48 62.24 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 122.132 1.888 . . . . 0.0 113.117 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.24 -55.98 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.1 -43.73 86.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.044 0.938 . . . . 0.0 110.318 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -57.88 -35.85 71.57 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.472 0.309 . . . . 0.0 111.194 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -71.23 -51.84 22.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.671 0.388 . . . . 0.0 111.24 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 42' ' ' LEU . 61.4 t -54.0 -53.33 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.603 1.161 . . . . 0.0 112.258 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -83.06 -11.93 57.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.989 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.0 t70 63.11 71.13 0.52 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.691 1.196 . . . . 0.0 109.481 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -157.43 173.04 17.51 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.487 -166.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -141.5 -25.52 0.7 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.028 0.931 . . . . 0.0 110.642 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.6 m -70.28 -20.81 63.02 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.825 0.85 . . . . 0.0 111.495 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.23 114.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.856 0.862 . . . . 0.0 111.475 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -120.72 110.7 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 65' ' ' VAL . 90.0 mt -78.43 140.36 38.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.051 0.453 . . . . 0.0 111.948 -170.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -129.19 167.76 17.15 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -66.58 -18.54 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.972 0.509 . . . . 0.0 112.13 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -114.36 8.62 16.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -63.46 134.12 55.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.91 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 p -155.08 174.88 14.56 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.294 0.497 . . . . 0.0 111.881 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.65 91.91 5.96 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 172.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 156.2 -60.72 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 -150.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.89 -19.45 54.72 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.934 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.67 137.48 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.003 0.921 . . . . 0.0 109.661 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.02 -41.54 14.75 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.899 0.879 . . . . 0.0 110.741 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.67 60.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.115 0.966 . . . . 0.0 112.962 -173.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -91.82 75.2 5.69 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.071 0.948 . . . . 0.0 109.604 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -77.73 173.29 12.23 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.049 0.539 . . . . 0.0 110.561 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -64.11 -36.22 83.32 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.199 0.6 . . . . 0.0 111.816 -172.159 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.65 -27.57 65.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.857 0.463 . . . . 0.0 111.015 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -71.42 -31.64 67.46 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.067 0.547 . . . . 0.0 111.209 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.452 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 79.7 m-70 -64.62 -41.3 96.28 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 122.597 0.359 . . . . 0.0 110.606 170.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -58.74 -47.7 83.73 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.4 0.438 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.75 -37.73 88.6 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.842 0.714 . . . . 0.0 110.97 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.9 tm? -61.92 -54.56 40.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.828 0.851 . . . . 0.0 111.346 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 59' ' ' LEU . 1.7 mp -65.46 -44.89 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.577 0.751 . . . . 0.0 110.561 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 m -67.19 -29.46 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.302 0.501 . . . . 0.0 111.846 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -62.8 -42.71 99.83 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.918 0.487 . . . . 0.0 110.403 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.03 -43.67 94.88 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.749 0.419 . . . . 0.0 110.58 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.5 -44.1 97.21 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.399 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.18 -42.51 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.11 -54.32 39.76 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.294 0.638 . . . . 0.0 111.927 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -88.56 -4.1 58.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.113 0.565 . . . . 0.0 112.012 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 59.63 41.2 19.11 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.9 0.88 . . . . 0.0 110.837 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.7 pt -113.3 -174.03 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.1 0.96 . . . . 0.0 110.305 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -160.84 132.9 5.92 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -107.84 150.79 26.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.617 0.767 . . . . 0.0 109.725 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.26 147.21 24.25 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -28.12 69.64 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.093 0.557 . . . . 0.0 109.709 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -40.25 95.69 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 68.2 mt-10 -70.24 -33.1 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.368 0.667 . . . . 0.0 110.723 176.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -57.76 -38.88 76.17 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.009 0.924 . . . . 0.0 111.305 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -67.17 -20.98 65.81 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.133 0.573 . . . . 0.0 112.128 176.278 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -96.01 -13.48 23.74 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.081 0.952 . . . . 0.0 111.674 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 95.2 mt -81.06 88.23 5.98 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD2' HD21 ' A' ' 64' ' ' ASN . 8.2 tmtm? -88.71 -29.04 20.15 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.155 0.582 . . . . 0.0 109.607 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.467 HD21 ' HD2' ' A' ' 63' ' ' LYS . 30.0 m-80 -139.45 173.95 11.01 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.49 0.662 . . . . 0.0 111.832 -176.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 22' ' ' LEU . 58.8 t -60.68 -31.9 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.899 1.28 . . . . 0.0 110.745 168.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.73 90.06 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.56 0.538 . . . . 0.0 112.085 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.3 -43.6 81.32 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 110.255 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.276 0.36 . . . . 0.0 110.31 171.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.02 -38.56 86.52 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.944 0.898 . . . . 0.0 110.559 -176.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.7 t70 -66.02 -51.93 53.87 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.45 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 3.9 mm? -67.95 -49.54 61.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.147 0.579 . . . . 0.0 111.879 -174.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 68' ' ' LEU . 95.0 t -50.03 -45.18 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.731 1.213 . . . . 0.0 110.835 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.1 t70 -70.5 -30.22 66.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.154 0.582 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 43.8 mmtm -65.04 -37.57 88.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 70.8 mmtt -72.23 -39.65 68.34 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.267 0.627 . . . . 0.0 109.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 73' ' ' ASP . 70.5 mt -61.32 -36.4 80.02 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.084 0.954 . . . . 0.0 110.661 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.87 -32.11 72.39 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.393 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.6 mmt180 -72.11 -25.83 61.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.925 0.49 . . . . 0.0 110.472 173.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm . . . . . 0 N--CA 1.484 1.237 0 C-N-CA 123.521 0.728 . . . . 0.0 112.429 178.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 CA--C 1.544 1.013 0 CA-C-O 120.85 0.271 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.651 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 21.9 p -62.98 -72.31 0.14 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.888 0.875 . . . . 0.0 111.281 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.13 -29.26 43.07 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.94 0.496 . . . . 0.0 110.826 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -57.03 -51.53 68.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.197 0.999 . . . . 0.0 111.616 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.2 75.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.355 0.662 . . . . 0.0 111.645 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 72' ' ' VAL . 69.2 mt -73.7 -34.09 64.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.19 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.447 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 45.9 m -49.75 -52.9 47.22 Favored Pre-proline 0 CA--C 1.571 1.773 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -174.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.447 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 31.8 Cg_exo -62.88 -31.31 77.7 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 122.37 2.047 . . . . 0.0 112.923 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mm -69.17 -44.82 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.402 0.681 . . . . 0.0 110.236 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.05 -49.72 59.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.393 0.677 . . . . 0.0 110.505 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.08 -21.63 66.6 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.402 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -80.64 -56.89 3.85 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.022 0.529 . . . . 0.0 110.796 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.54 -52.32 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.244 1.018 . . . . 0.0 111.566 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -82.37 -12.21 58.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.206 0.602 . . . . 0.0 111.252 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 64.08 32.42 12.8 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.215 1.007 . . . . 0.0 110.466 172.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.04 118.38 14.64 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.037 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.89 -16.28 55.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.768 0.827 . . . . 0.0 111.581 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 m -66.39 -17.52 64.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.03 0.532 . . . . 0.0 111.251 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.15 112.88 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.298 1.039 . . . . 0.0 110.896 173.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.48 112.11 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.606 HD22 HG11 ' A' ' 65' ' ' VAL . 90.1 mt -80.27 140.69 36.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.499 0.72 . . . . 0.0 112.138 -168.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -129.51 177.43 7.21 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.646 1.178 . . . . 0.0 108.167 170.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 94.7 mtt180 -68.82 -12.69 61.79 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.296 0.638 . . . . 0.0 111.912 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -119.63 -3.15 10.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.001 0.921 . . . . 0.0 112.488 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -64.87 142.62 58.37 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 169.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -161.05 -170.22 2.62 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.613 0.642 . . . . 0.0 111.28 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.05 -27.61 54.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.437 1.095 . . . . 0.0 112.948 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.7 -36.85 83.48 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.421 1.089 . . . . 0.0 111.961 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -85.16 -15.5 43.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.56 0.744 . . . . 0.0 112.986 -170.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -120.08 110.63 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.536 0.734 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.52 -4.06 37.67 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -79.1 80.8 5.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.521 0.728 . . . . 0.0 110.478 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.15 173.68 9.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.935 0.494 . . . . 0.0 111.219 164.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -37.74 77.91 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.335 170.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.15 -45.59 91.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.601 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -68.38 -35.06 77.14 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.237 1.015 . . . . 0.0 110.881 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -60.25 -44.29 95.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.517 1.127 . . . . 0.0 110.133 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.7 mmm -68.6 -38.08 80.34 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.993 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -58.86 -42.1 88.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 123.345 0.403 . . . . 0.0 110.461 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -51.35 66.24 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 110.71 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.93 -45.76 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.857 -176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.4 -27.94 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 118.112 0.415 . . . . 0.0 111.889 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.18 -44.28 92.5 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.888 0.475 . . . . 0.0 110.726 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.15 -35.14 80.15 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.666 0.386 . . . . 0.0 111.652 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.3 mm-40 -58.76 -58.41 8.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.057 0.943 . . . . 0.0 110.852 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.55 -38.47 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.088 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -62.47 -61.52 2.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.433 0.693 . . . . 0.0 111.956 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -93.3 -0.18 56.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.581 0.752 . . . . 0.0 112.132 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.29 34.31 18.63 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.282 1.033 . . . . 0.0 110.839 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.4 pt -106.32 177.53 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.585 0.754 . . . . 0.0 110.189 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -141.98 107.33 5.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -83.45 132.71 34.95 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.64 143.28 26.94 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 3.0 tm? -57.28 -35.97 70.45 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.505 0.722 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.93 -39.92 97.65 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.605 0.565 . . . . 0.0 112.446 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 50.4 mt-10 -64.39 -38.66 91.82 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.34 0.656 . . . . 0.0 110.264 175.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.04 -33.38 75.66 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.147 0.579 . . . . 0.0 111.394 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.2 mm-40 -69.14 -24.09 64.04 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.114 0.566 . . . . 0.0 111.573 172.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -85.95 -1.86 57.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 40.4 mt -103.81 115.74 31.03 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -101.53 -29.99 11.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.048 0.539 . . . . 0.0 109.652 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -130.91 168.88 16.58 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.616 0.722 . . . . 0.0 110.765 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.606 HG11 HD22 ' A' ' 22' ' ' LEU . 59.3 t -60.53 -29.65 45.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.27 170.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 24' ' ' ARG . . . -67.59 -37.97 89.95 Favored Glycine 0 C--N 1.347 1.175 0 O-C-N 123.487 0.492 . . . . 0.0 112.536 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.91 -47.79 73.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.136 0.574 . . . . 0.0 109.701 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 72' ' ' VAL . 59.4 tp -60.63 -35.53 76.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.857 0.863 . . . . 0.0 111.232 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.651 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -69.68 -44.1 71.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.716 1.206 . . . . 0.0 110.593 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.8 t70 -58.67 -41.65 86.65 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.225 173.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -42.98 71.43 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.373 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 7' ' ' LEU . 89.6 t -58.63 -41.37 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.279 0.632 . . . . 0.0 110.284 173.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.473 ' HB2' HG22 ' A' ' 3' ' ' THR . 23.1 t70 -62.3 -36.11 81.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.131 0.972 . . . . 0.0 111.313 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 30.1 mmtm -66.82 -39.31 87.63 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.39 -42.91 78.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.233 0.613 . . . . 0.0 110.784 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.37 -28.63 68.11 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.317 0.647 . . . . 0.0 110.491 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.167 0.587 . . . . 0.0 110.806 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.2 mmm180 -75.35 -16.52 60.38 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.127 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 123.233 0.613 . . . . 0.0 110.717 171.845 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 5' ' ' ASP . 42.3 Cg_endo . . . . . 0 CA--C 1.548 1.218 0 CA-C-O 120.827 0.261 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 18.9 p -70.52 -76.8 0.1 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.427 0.691 . . . . 0.0 111.463 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.46 -28.95 33.93 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 23.1 t70 -51.76 -62.19 1.78 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.493 1.517 . . . . 0.0 111.995 -176.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . -77.24 -26.68 52.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.161 -173.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 72' ' ' VAL . 52.4 mt -67.48 -32.9 74.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.576 0.35 . . . . 0.0 111.49 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -57.76 -48.4 97.25 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.033 -0.984 . . . . 0.0 113.11 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 6' ' ' ALA . 77.3 Cg_exo -54.13 -41.18 77.85 Favored 'Trans proline' 0 C--N 1.404 3.455 0 C-N-CA 122.976 2.451 . . . . 0.0 113.429 171.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.3 -54.22 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.161 0.584 . . . . 0.0 110.369 -176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.9 -44.8 84.17 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.717 0.807 . . . . 0.0 110.421 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.36 -31.9 70.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.668 0.387 . . . . 0.0 111.734 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -76.85 -55.57 5.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 117.798 0.272 . . . . 0.0 111.175 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -54.58 -48.24 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.817 0.847 . . . . 0.0 111.595 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -83.95 -18.77 36.19 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.76 81.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.401 1.08 . . . . 0.0 109.271 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.86 172.14 15.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.382 -168.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -138.53 -19.45 1.07 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.099 0.96 . . . . 0.0 110.668 -176.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 m -83.62 -9.46 58.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.274 1.03 . . . . 0.0 112.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.78 103.19 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-O 121.281 0.563 . . . . 0.0 110.308 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.1 85.45 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.02 135.75 56.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.477 -1.238 . . . . 0.0 113.183 -168.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -118.72 179.59 4.09 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -68.41 -43.28 77.58 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.16 -4.35 50.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 m -60.15 141.21 56.27 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 79.9 p -166.1 179.72 5.6 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.35 0.66 . . . . 0.0 109.749 -172.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.42 -7.71 53.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.348 0.659 . . . . 0.0 111.79 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.53 -42.03 17.28 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 168.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . 33.8 t70 -78.24 -17.69 56.37 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.688 1.195 . . . . 0.0 111.13 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 mt -121.7 108.37 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.99 -31.73 69.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.623 0.769 . . . . 0.0 111.077 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.45 -2.97 57.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.479 0.712 . . . . 0.0 112.278 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -82.96 76.03 9.82 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.36 167.99 0.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.388 1.475 . . . . 0.0 111.467 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -44.61 95.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.625 0.77 . . . . 0.0 109.625 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.0 -11.4 59.57 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.862 0.865 . . . . 0.0 111.759 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.2 m -66.05 -33.51 75.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -55.59 -40.59 72.21 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 123.842 0.713 . . . . 0.0 111.599 169.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.54 -32.58 70.46 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.083 0.401 . . . . 0.0 111.077 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -69.16 -36.49 77.43 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.493 0.717 . . . . 0.0 110.722 173.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.0 mm? -64.03 -52.91 57.21 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.13 0.572 . . . . 0.0 110.219 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -57.31 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.345 1.058 . . . . 0.0 110.338 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.4 -36.17 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 123.592 0.557 . . . . 0.0 111.741 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -65.77 -46.59 78.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.879 0.471 . . . . 0.0 111.262 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 80.0 mt -65.89 -40.41 91.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.978 0.418 . . . . 0.0 110.586 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.37 -53.04 62.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.704 0.802 . . . . 0.0 111.673 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.49 -41.9 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -66.18 -49.56 66.91 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.33 0.652 . . . . 0.0 111.466 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB3' HD21 ' A' ' 76' ' ' LEU . 75.1 m-85 -86.26 -11.96 50.89 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.261 0.625 . . . . 0.0 112.098 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.81 26.18 11.24 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 19.7 pt -95.72 174.74 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.231 0.612 . . . . 0.0 110.104 -172.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.94 110.27 7.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 2.1 p90 -128.25 156.95 42.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.583 0.753 . . . . 0.0 110.347 167.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.78 143.25 31.16 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.266 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.43 -26.67 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.87 -176.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.14 -42.43 95.2 Favored Glycine 0 CA--C 1.537 1.446 0 O-C-N 123.033 0.208 . . . . 0.0 112.842 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.551 0.74 . . . . 0.0 110.24 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.793 HD13 HD12 ' A' ' 62' ' ' LEU . 3.2 mm? -65.58 -34.81 79.1 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.727 0.811 . . . . 0.0 112.083 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -61.85 -24.57 66.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.131 0.573 . . . . 0.0 112.192 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.95 -11.97 42.9 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.663 0.785 . . . . 0.0 111.602 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 59' ' ' LEU . 38.1 mt -88.34 98.27 11.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.16 -23.28 26.6 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.554 1.142 . . . . 0.0 110.805 -171.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.44 174.79 13.92 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.573 0.349 . . . . 0.0 110.986 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 88.5 t -73.13 -10.71 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.334 1.054 . . . . 0.0 110.754 -175.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.42 -39.36 87.36 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.578 ' HB3' HD22 ' A' ' 62' ' ' LEU . 61.2 m-20 -66.41 -43.32 86.05 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 123.042 0.537 . . . . 0.0 109.87 172.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.0 mm? -63.66 -38.61 91.75 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.152 0.581 . . . . 0.0 111.775 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.03 -52.46 64.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.058 0.543 . . . . 0.0 109.84 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 29.5 t70 -59.83 -51.62 68.95 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.145 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.648 ' HG ' HD11 ' A' ' 62' ' ' LEU . 1.9 tm? -56.32 -59.05 5.52 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.163 1.385 . . . . 0.0 111.905 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 77.6 t -57.96 -37.58 61.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.878 0.871 . . . . 0.0 110.504 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.38 -36.8 79.7 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.125 0.57 . . . . 0.0 111.591 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 2.5 mmmp? -63.49 -41.0 98.56 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.71 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 73.1 mmtt -70.3 -38.46 74.97 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.536 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 50' ' ' TYR . 69.8 mt -69.21 -29.44 67.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.65 0.78 . . . . 0.0 111.321 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.26 81.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.159 0.584 . . . . 0.0 110.019 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -69.91 -24.85 63.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.258 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 N--CA 1.479 0.981 0 C-N-CA 123.253 0.621 . . . . 0.0 112.058 178.429 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--O 1.214 -0.701 0 N-CA-C 111.461 -0.246 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 73' ' ' ASP . 68.7 p -64.36 -75.85 0.08 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.746 0.819 . . . . 0.0 113.1 -163.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.31 -38.24 86.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.576 0.75 . . . . 0.0 109.86 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.0 -50.5 72.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.58 1.175 . . . . 0.0 111.526 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.54 79.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.522 0.729 . . . . 0.0 110.842 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 72' ' ' VAL . 93.7 mt -66.96 -35.34 79.74 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.379 0.672 . . . . 0.0 110.998 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -53.6 -50.49 82.98 Favored Pre-proline 0 CA--C 1.576 1.961 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -171.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.34 -29.45 72.5 Favored 'Trans proline' 0 C--N 1.396 3.028 0 C-N-CA 122.426 2.084 . . . . 0.0 112.666 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.79 -46.4 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.312 0.645 . . . . 0.0 110.11 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -71.45 -45.12 63.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 0.0 110.005 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.69 -32.59 69.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.048 0.539 . . . . 0.0 112.01 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.26 -60.67 2.56 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.629 0.772 . . . . 0.0 110.289 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 42' ' ' LEU . 54.0 t -59.63 -47.88 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.834 1.254 . . . . 0.0 112.3 -171.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -88.23 -8.4 55.32 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.814 0.445 . . . . 0.0 111.43 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.19 52.39 2.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.554 1.141 . . . . 0.0 110.376 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -154.25 116.54 4.31 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.266 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.38 -11.34 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.892 0.877 . . . . 0.0 111.697 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m -82.42 -7.65 59.63 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.113 -0.367 . . . . 0.0 111.847 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.99 118.55 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.342 0.657 . . . . 0.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.69 97.25 4.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 65' ' ' VAL . 74.9 mt -62.78 128.58 36.59 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.803 0.69 . . . . 0.0 111.891 -172.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -112.31 161.11 17.0 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -57.28 -46.58 82.99 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.627 0.371 . . . . 0.0 110.385 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.51 11.56 8.48 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 65' ' ' VAL . 92.4 m -65.07 96.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.147 0.43 . . . . 0.0 110.88 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.6 p -105.08 -175.95 2.94 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.011 0.524 . . . . 0.0 110.406 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.19 -13.05 15.23 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.757 0.823 . . . . 0.0 112.754 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -86.05 -34.67 20.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 0.0 110.565 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -77.98 -24.79 47.91 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.112 0.565 . . . . 0.0 111.087 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.25 108.06 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.41 -36.78 85.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.086 0.555 . . . . 0.0 111.222 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.99 -5.64 42.56 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.637 0.775 . . . . 0.0 112.643 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -85.08 67.51 10.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.54 0.736 . . . . 0.0 110.058 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.86 171.65 13.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.475 0.71 . . . . 0.0 109.663 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 48.7 m -52.89 -36.28 59.12 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.69 -33.16 60.34 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.613 0.365 . . . . 0.0 111.043 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -69.24 -31.26 69.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.079 0.552 . . . . 0.0 111.177 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.411 ' O ' HD13 ' A' ' 43' ' ' ILE . 82.6 m-70 -56.72 -42.55 79.41 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.18 0.592 . . . . 0.0 110.809 170.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -62.54 -45.7 91.76 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.714 0.406 . . . . 0.0 110.845 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.5 -39.49 93.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.725 0.81 . . . . 0.0 111.05 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -60.45 -49.23 78.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.084 0.954 . . . . 0.0 110.783 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.5 mp -64.35 -53.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.526 -177.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.98 -29.04 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -64.93 -45.89 83.92 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.29 0.636 . . . . 0.0 111.208 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.52 -40.9 98.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.508 0.323 . . . . 0.0 111.463 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.8 mm-40 -60.0 -53.0 63.0 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.938 0.895 . . . . 0.0 111.477 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.43 -42.61 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -65.01 -51.46 61.51 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.258 0.623 . . . . 0.0 112.18 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -96.91 -1.85 44.98 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 58.15 33.75 23.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.236 1.014 . . . . 0.0 110.999 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.2 pt -98.27 175.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.427 0.691 . . . . 0.0 109.514 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -145.25 109.6 4.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.307 0.643 . . . . 0.0 110.192 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -81.75 134.11 35.41 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.38 136.18 33.17 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 167.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.83 -33.52 61.77 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.36 1.064 . . . . 0.0 111.958 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.39 -46.97 93.29 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.41 0.444 . . . . 0.0 113.003 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.39 -38.12 89.92 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.869 0.868 . . . . 0.0 110.195 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -67.44 -37.75 83.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.998 1.319 . . . . 0.0 111.605 -170.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.666 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -71.16 -19.14 62.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.8 -8.3 58.87 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.096 0.558 . . . . 0.0 110.963 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 ' HG ' ' A' ' 71' ' ' LEU . 25.0 mt -84.57 91.62 7.93 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -77.74 -27.64 50.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 110.661 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 64' ' ' ASN . 0.0 OUTLIER -159.65 -179.37 7.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 -176.25 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 22' ' ' LEU . 91.8 t -67.6 -19.8 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 124.668 1.187 . . . . 0.0 110.897 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.76 -40.92 98.98 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 62' ' ' LEU . 34.8 m-20 -69.51 -41.87 75.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.085 0.554 . . . . 0.0 110.831 174.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.98 -37.19 81.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.187 0.449 . . . . 0.0 110.836 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -56.29 23.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.407 0.683 . . . . 0.0 110.019 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.5 m-20 -61.34 -47.82 84.13 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.86 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.581 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -69.12 -48.85 61.38 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.652 0.781 . . . . 0.0 111.798 -169.135 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.2 t -58.27 -38.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 122.95 0.5 . . . . 0.0 110.21 174.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' THR . 16.8 t70 -70.86 -31.0 67.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.123 0.569 . . . . 0.0 111.048 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.4 mmmt -65.84 -35.67 81.33 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.3 mmtt -69.69 -39.49 76.93 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.445 0.698 . . . . 0.0 110.214 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 93.1 mt -68.54 -28.73 67.24 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.644 0.778 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.633 0.773 . . . . 0.0 110.159 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.1 mmm-85 -73.98 -14.46 61.03 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.199 173.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.5 mmtt . . . . . 0 C--N 1.353 0.755 0 C-N-CA 122.508 0.323 . . . . 0.0 110.249 171.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.152 0 CA-C-O 120.772 0.32 . . . . 0.0 110.8 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -94.35 33.88 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.062 0 C-N-CA 123.755 2.97 . . . . 0.0 111.883 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -76.94 -57.05 4.07 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 117.84 -1.076 . . . . 0.0 113.277 -164.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -50.67 -40.21 53.04 Favored 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 119.127 0.876 . . . . 0.0 111.619 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.97 -53.79 51.14 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.239 1.016 . . . . 0.0 111.268 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.75 -28.54 65.86 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.022 -178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.2 mt -84.61 -28.23 26.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.626 0.771 . . . . 0.0 111.742 -172.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.2 m -55.83 -47.34 98.95 Favored Pre-proline 0 N--CA 1.49 1.566 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.944 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.78 -33.6 96.16 Favored 'Trans proline' 0 C--N 1.387 2.598 0 C-N-CA 121.98 1.786 . . . . 0.0 112.837 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' VAL . 49.8 mm -68.07 -49.82 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 123.11 0.564 . . . . 0.0 110.455 -177.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -69.47 -38.49 77.76 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.685 0.794 . . . . 0.0 110.368 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.7 mtt180 -61.74 -31.59 71.77 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.821 0.449 . . . . 0.0 111.1 173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -75.78 -53.67 8.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 122.451 0.3 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 10' ' ' ILE . 94.7 t -56.63 -53.92 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 -178.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -85.38 -1.72 57.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.668 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 51.98 75.05 0.23 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.194 1.397 . . . . 0.0 111.572 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -157.38 168.64 26.78 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.69 -171.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -127.14 -26.97 3.03 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.16 0.984 . . . . 0.0 110.303 -174.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -86.13 -15.56 40.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.026 0.93 . . . . 0.0 112.135 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -66.21 111.98 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -118.3 125.71 74.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 172.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD13 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -80.03 135.17 36.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.497 0.665 . . . . 0.0 111.628 -174.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -132.18 163.97 27.36 Favored 'General case' 0 C--O 1.248 0.994 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 169.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -67.73 -15.53 63.68 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.02 -15.84 20.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.63 0.772 . . . . 0.0 111.779 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -65.32 129.74 40.82 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.69 0.396 . . . . 0.0 110.313 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 p -132.27 -176.29 4.03 Favored 'General case' 0 C--O 1.242 0.671 0 C-N-CA 123.876 0.87 . . . . 0.0 109.683 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' H ' H422 ' A' ' 88' ' ' PNS . . . -59.78 -32.78 70.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.293 0.637 . . . . 0.0 111.592 172.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -66.65 -26.23 66.96 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.153 0.581 . . . . 0.0 111.328 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -80.48 -21.55 41.89 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.238 0.615 . . . . 0.0 111.667 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.0 mt -118.55 94.78 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.16 0.584 . . . . 0.0 110.134 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.48 94.04 1.24 Allowed 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 159.55 -41.83 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.493 1.917 . . . . 0.0 107.846 -166.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -77.25 115.55 17.12 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.119 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.2 p-10 -135.82 -170.82 2.71 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.4 m -51.47 -51.84 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.722 1.209 . . . . 0.0 112.571 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -44.03 93.29 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.472 0.709 . . . . 0.0 110.336 -176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.4 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 58.3 m -73.28 -26.98 61.31 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.953 0.501 . . . . 0.0 111.899 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.524 ' HE1' ' S44' ' A' ' 88' ' ' PNS . 53.1 t60 -68.52 -40.9 80.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.411 1.085 . . . . 0.0 110.28 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.3 mmm -68.4 -38.19 81.06 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.925 175.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.61 -39.95 90.05 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.429 0.692 . . . . 0.0 110.392 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.33 -51.19 64.64 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.674 0.79 . . . . 0.0 110.905 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.66 -43.48 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.498 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.55 -26.83 38.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 CA-C-N 118.743 0.701 . . . . 0.0 111.776 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 m -65.26 -40.33 93.81 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.954 0.502 . . . . 0.0 110.569 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.05 -34.33 73.09 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 122.352 0.261 . . . . 0.0 110.747 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 62.8 mm-40 -60.77 -49.54 77.09 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.227 1.011 . . . . 0.0 110.881 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 m -76.7 -46.81 30.09 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -68.03 -57.59 5.9 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.548 0.739 . . . . 0.0 112.459 -174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.96 -5.84 49.81 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.752 0.421 . . . . 0.0 111.493 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 66.57 19.79 10.83 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.6 1.16 . . . . 0.0 111.797 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.9 pt -100.28 142.33 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.992 0.517 . . . . 0.0 110.558 -168.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -102.57 125.66 49.38 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.317 1.047 . . . . 0.0 110.861 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.63 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 98.2 m-85 -108.4 134.83 50.66 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.599 0.76 . . . . 0.0 109.261 171.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 146.56 24.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.3 tm? -60.58 -27.94 68.09 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.384 0.673 . . . . 0.0 110.3 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.25 -34.97 90.12 Favored Glycine 0 C--N 1.353 1.506 0 O-C-N 123.298 0.373 . . . . 0.0 112.708 172.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 43.5 mt-10 -79.97 -28.03 39.62 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.647 0.779 . . . . 0.0 110.584 176.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD13 HD12 ' A' ' 62' ' ' LEU . 3.8 mm? -62.96 -35.22 79.41 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.503 0.721 . . . . 0.0 110.289 171.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.6 mm-40 -57.68 -24.67 57.9 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 123.392 0.677 . . . . 0.0 111.612 170.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -96.84 -11.76 24.43 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.201 1.0 . . . . 0.0 112.029 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 68' ' ' LEU . 85.6 mt -90.71 78.75 6.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.156 0.582 . . . . 0.0 110.365 -176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HA ' H381 ' A' ' 88' ' ' PNS . 1.8 tmtp? -86.81 -33.36 19.9 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -133.63 170.52 15.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.389 0.676 . . . . 0.0 109.941 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.433 HG11 HD13 ' A' ' 22' ' ' LEU . 41.5 t -69.44 -17.3 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 C-N-CA 124.54 1.136 . . . . 0.0 110.729 174.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.26 -37.65 86.74 Favored Glycine 0 C--N 1.347 1.158 0 N-CA-C 112.132 -0.387 . . . . 0.0 112.132 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.98 -37.67 86.56 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.303 0.641 . . . . 0.0 110.172 172.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 HD22 ' A' ' 62' ' ' LEU . 4.3 mm? -64.27 -38.85 92.52 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.307 0.379 . . . . 0.0 110.62 171.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.96 89.14 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.315 0.579 . . . . 0.0 110.131 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 49.6 m-20 -64.41 -58.01 7.68 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.296 175.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.63 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.6 mm? -61.54 -55.46 30.64 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.45 1.094 . . . . 0.0 111.236 -170.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 79.1 t -48.7 -47.24 15.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.467 1.107 . . . . 0.0 110.647 175.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -67.92 -34.81 77.34 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 69.1 mmtt -68.27 -34.95 77.12 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 73.1 mmtt -72.89 -37.33 67.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.803 0.841 . . . . 0.0 110.313 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.1 mt -67.93 -29.9 69.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.219 174.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.27 84.67 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.093 0.557 . . . . 0.0 109.726 171.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.1 mmm180 -71.71 -16.97 62.24 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 122.812 0.445 . . . . 0.0 110.862 174.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.8 mmtt -80.64 -25.89 38.05 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.11 0.564 . . . . 0.0 112.046 172.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.4 -33.07 70.95 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 169.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -66.85 110.14 3.19 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 167.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -62.01 81.79 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -161.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -142.01 82.52 1.8 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -104.2 121.74 43.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.298 0.639 . . . . 0.0 109.928 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -146.41 131.47 18.28 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -79.68 174.41 11.61 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.608 0.568 . . . . 0.0 111.954 -174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.9 m80 . . . . . 0 C--O 1.249 1.072 0 C-N-CA 124.726 1.21 . . . . 0.0 108.586 170.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.535 H422 ' H ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB2' HG23 ' A' ' 3' ' ' THR . 23.0 ptt? . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 109.703 -0.481 . . . . 0.0 109.703 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -93.36 44.28 0.29 Allowed 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 123.326 2.684 . . . . 0.0 111.052 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 73' ' ' ASP . 82.4 p -64.08 -77.04 0.06 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.025 0.53 . . . . 0.0 111.918 -169.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.94 -36.14 82.44 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.52 -50.01 68.85 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.344 1.458 . . . . 0.0 112.904 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.77 -26.68 40.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.418 0.687 . . . . 0.0 110.611 -178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 HG21 ' A' ' 72' ' ' VAL . 96.8 mt -71.36 -35.04 70.98 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.54 0.336 . . . . 0.0 111.125 177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.7 m -53.9 -51.29 78.21 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 118.225 -0.893 . . . . 0.0 112.929 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.22 -30.44 91.25 Favored 'Trans proline' 0 C--N 1.387 2.564 0 C-N-CA 122.318 2.012 . . . . 0.0 113.166 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.2 mm -68.49 -47.38 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.663 0.385 . . . . 0.0 110.341 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.03 -40.27 78.71 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.291 0.636 . . . . 0.0 109.943 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -55.94 -33.87 65.12 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.542 0.737 . . . . 0.0 111.945 173.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -79.81 -56.2 4.44 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.041 0.537 . . . . 0.0 111.402 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.2 t -56.99 -55.12 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 124.514 1.125 . . . . 0.0 111.941 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -83.77 -15.77 47.24 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.2 t70 67.28 80.88 0.21 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.36 1.064 . . . . 0.0 110.777 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -176.67 114.85 0.11 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.485 1.114 . . . . 0.0 109.048 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -77.72 -9.12 58.83 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.87 0.468 . . . . 0.0 111.525 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -82.41 -12.29 57.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.302 0.641 . . . . 0.0 111.336 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.47 117.83 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.648 0.779 . . . . 0.0 110.715 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.9 t -127.89 98.53 4.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.564 HD13 HG11 ' A' ' 65' ' ' VAL . 93.5 mt -66.33 143.53 57.12 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.623 -173.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -128.09 -179.3 4.91 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 172.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -56.57 -55.56 32.35 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.116 0.566 . . . . 0.0 110.256 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.21 15.62 20.47 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.792 0.837 . . . . 0.0 112.035 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.3 m -65.17 140.44 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 159.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.549 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 99.7 p -166.42 -173.71 2.61 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.922 0.489 . . . . 0.0 110.278 -171.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.9 -17.02 64.37 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -86.9 -37.75 17.36 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.256 0.622 . . . . 0.0 109.603 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.549 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.9 t70 -75.0 -18.47 60.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.551 0.741 . . . . 0.0 111.268 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.6 mt -118.55 107.07 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.42 -38.29 90.59 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.781 0.832 . . . . 0.0 111.126 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -8.67 44.08 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.505 0.722 . . . . 0.0 112.843 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.447 ' HZ2' ' HD1' ' A' ' 39' ' ' HIS . 1.9 t-105 -74.33 111.51 9.57 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' H ' ' HB2' ' A' ' 38' ' ' SER . 20.9 t70 -117.13 169.23 9.6 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.205 1.402 . . . . 0.0 108.084 178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -49.23 -53.6 20.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.712 0.805 . . . . 0.0 112.031 172.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.87 -33.1 74.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 115.408 -0.814 . . . . 0.0 112.06 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 17.5 m -68.03 -35.48 78.33 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.318 0.647 . . . . 0.0 110.343 176.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.447 ' HD1' ' HZ2' ' A' ' 34' ' ' TRP . 67.9 t60 -65.83 -41.44 91.78 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.937 0.895 . . . . 0.0 110.522 175.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -62.67 -41.62 99.18 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.44 177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.6 -39.58 91.73 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.988 0.805 . . . . 0.0 110.493 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.519 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -63.93 -51.51 64.11 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.412 0.685 . . . . 0.0 111.037 -177.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.38 -48.5 88.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.404 0.682 . . . . 0.0 110.435 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.7 m -66.58 -27.56 40.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -66.57 -39.65 88.59 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 123.513 0.508 . . . . 0.0 110.871 172.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -68.85 -36.16 77.8 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.784 0.326 . . . . 0.0 110.48 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' LYS . 7.3 mm-40 -64.84 -46.97 79.68 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.783 0.833 . . . . 0.0 111.267 179.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -74.98 -44.58 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -63.2 -59.15 5.14 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.916 0.486 . . . . 0.0 111.423 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -88.78 0.58 56.38 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.943 0.497 . . . . 0.0 111.12 -172.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.293 0.0 OUTLIER 40.23 57.17 2.49 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 125.536 1.534 . . . . 0.0 112.596 -175.418 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 pt -115.62 -176.73 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 CA-C-N 113.804 -1.544 . . . . 0.0 109.888 -175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -139.48 109.89 6.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.75 0.42 . . . . 0.0 110.827 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -86.7 139.88 30.32 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.278 0.631 . . . . 0.0 109.504 166.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.63 17.87 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.605 HD22 HD12 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -57.48 -37.04 72.27 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.513 0.725 . . . . 0.0 110.658 178.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.21 90.32 Favored Glycine 0 CA--C 1.535 1.321 0 O-C-N 123.696 0.623 . . . . 0.0 112.988 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB3' HD11 ' A' ' 71' ' ' LEU . 46.6 mt-10 -79.21 -20.59 47.92 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.067 0.947 . . . . 0.0 111.53 177.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.605 HD12 HD22 ' A' ' 56' ' ' LEU . 73.8 mt -77.01 -31.38 56.39 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.862 0.465 . . . . 0.0 109.776 173.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -67.57 -18.98 65.2 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.245 0.618 . . . . 0.0 111.423 171.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -79.16 -13.86 59.46 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.834 0.454 . . . . 0.0 110.915 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 68' ' ' LEU . 68.1 mt -92.84 88.81 6.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.142 0.577 . . . . 0.0 110.141 -174.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HD2' HD22 ' A' ' 64' ' ' ASN . 1.3 tmtp? -85.5 -37.5 19.63 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 172.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.463 HD22 ' HD2' ' A' ' 63' ' ' LYS . 6.1 p30 -142.41 174.64 10.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.776 0.83 . . . . 0.0 111.177 -176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 22' ' ' LEU . 45.1 t -72.39 -17.38 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.62 1.168 . . . . 0.0 111.122 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.1 90.64 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 168.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -71.2 -35.58 71.61 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.167 0.587 . . . . 0.0 110.591 173.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD22 HD22 ' A' ' 62' ' ' LEU . 3.8 mm? -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 169.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.58 -47.05 87.09 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.073 0.549 . . . . 0.0 110.081 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 39.7 m-20 -64.87 -51.62 61.03 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.714 175.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -63.73 -52.51 60.17 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.111 0.964 . . . . 0.0 110.662 -169.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 7' ' ' LEU . 79.4 t -61.33 -35.9 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.815 0.846 . . . . 0.0 110.865 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.512 ' HB2' HG22 ' A' ' 3' ' ' THR . 19.7 t70 -69.62 -27.93 65.49 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 122.499 0.32 . . . . 0.0 111.238 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.5 mmmm -73.42 -28.26 61.89 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.704 0.402 . . . . 0.0 110.018 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 73.6 mmtt -74.99 -35.96 62.02 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.08 0.552 . . . . 0.0 109.978 172.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 88.4 mt -73.62 -20.23 60.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.397 0.679 . . . . 0.0 109.986 174.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.79 76.06 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.003 0.521 . . . . 0.0 109.877 169.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 36.2 mmt180 -69.1 -29.99 68.2 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.437 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 32.3 mmtp -84.04 -49.36 8.99 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.774 0.43 . . . . 0.0 110.768 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.91 6.06 6.86 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.978 0.911 . . . . 0.0 110.872 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -57.56 106.5 0.35 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 162.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -127.34 84.55 2.27 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.507 1.123 . . . . 0.0 108.081 177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -99.72 130.98 45.98 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.082 0.953 . . . . 0.0 109.319 175.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -170.53 -55.1 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -65.75 128.02 34.3 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.13 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 67.51 -69.2 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.106 1.362 . . . . 0.0 110.886 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 169.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.53 ' S44' ' HA ' ' A' ' 27' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -94.22 20.35 0.66 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.438 2.759 . . . . 0.0 112.545 -177.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 40.7 p -68.48 -63.26 1.09 Allowed 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 124.118 0.967 . . . . 0.0 113.16 -163.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -50.68 -41.37 55.67 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.565 0.746 . . . . 0.0 111.344 -175.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.55 -48.93 68.1 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.029 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.1 73.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.449 0.7 . . . . 0.0 111.793 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 3' ' ' THR . 87.2 mt -80.76 -19.15 45.52 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.548 0.739 . . . . 0.0 110.426 -178.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.526 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 32.6 m -55.56 -53.94 56.88 Favored Pre-proline 0 CA--C 1.57 1.732 0 CA-C-O 117.747 -1.12 . . . . 0.0 111.966 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 33.6 Cg_exo -61.0 -30.32 89.62 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 122.42 2.08 . . . . 0.0 113.156 175.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.35 -58.39 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.322 0.649 . . . . 0.0 110.374 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -65.26 -42.55 93.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.292 0.637 . . . . 0.0 110.662 -177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -57.14 -36.41 70.67 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.905 0.482 . . . . 0.0 111.87 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -76.45 -51.97 10.76 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 122.318 -0.239 . . . . 0.0 111.154 178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG11 HD22 ' A' ' 42' ' ' LEU . 53.9 t -53.77 -55.02 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 C-N-CA 124.454 1.102 . . . . 0.0 112.123 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -80.34 -15.49 56.75 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.022 0.529 . . . . 0.0 111.317 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 63.12 74.84 0.42 Allowed 'General case' 0 C--N 1.363 1.153 0 C-N-CA 124.705 1.202 . . . . 0.0 108.983 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -163.84 -175.53 4.13 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.667 -167.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -151.36 -28.6 0.19 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.845 0.858 . . . . 0.0 109.717 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 m -75.63 -14.4 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.709 0.804 . . . . 0.0 112.147 -174.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.69 117.55 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.345 0.658 . . . . 0.0 109.833 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.22 109.79 27.68 Favored 'Isoleucine or valine' 0 C--O 1.245 0.841 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 177.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.17 128.32 35.13 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.666 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -126.73 165.95 18.3 Favored 'General case' 0 C--O 1.247 0.944 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -31.75 68.87 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 122.759 0.424 . . . . 0.0 111.853 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.54 -17.65 35.73 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 65' ' ' VAL . 61.2 m -61.5 116.44 4.71 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 122.983 0.513 . . . . 0.0 111.77 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.4 p -126.22 -175.41 3.36 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.487 0.715 . . . . 0.0 109.711 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -22.11 63.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -78.61 -24.96 45.1 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 118.071 0.396 . . . . 0.0 110.866 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.8 -19.63 48.08 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.724 0.81 . . . . 0.0 111.268 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.92 109.07 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.62 -29.42 70.61 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.305 1.042 . . . . 0.0 111.527 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.63 -19.36 61.46 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -80.98 114.05 19.6 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.589 0.755 . . . . 0.0 110.354 -175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -122.42 176.87 5.66 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.178 1.391 . . . . 0.0 108.68 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 m -56.98 -34.0 67.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.46 0.704 . . . . 0.0 110.569 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.17 -42.99 93.13 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.28 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.1 m -66.57 -29.59 69.69 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.657 0.383 . . . . 0.0 110.666 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.522 ' NE2' H312 ' A' ' 88' ' ' PNS . 82.0 m-70 -62.74 -44.1 97.08 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.71 0.631 . . . . 0.0 110.791 170.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.9 mmm -56.3 -42.04 76.91 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 120.849 0.357 . . . . 0.0 110.643 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -68.39 -35.27 77.43 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.281 176.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD22 HG11 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -58.87 -58.98 6.24 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.502 0.721 . . . . 0.0 110.628 176.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.05 -52.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 O-C-N 124.224 0.953 . . . . 0.0 110.366 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.1 m -61.29 -31.23 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.1 m -67.86 -43.72 78.78 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.786 0.434 . . . . 0.0 110.673 173.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.3 mt -66.86 -32.98 74.61 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.24 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 13.8 mm-40 -65.33 -57.63 7.93 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.152 0.981 . . . . 0.0 110.306 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -69.84 -38.01 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -171.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -72.78 -54.9 7.64 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.858 0.463 . . . . 0.0 112.11 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 52' ' ' ILE . 80.2 m-85 -86.71 -17.19 34.27 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -172.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.39 48.31 19.35 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.528 1.131 . . . . 0.0 110.342 -171.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.427 HG12 ' HB2' ' A' ' 50' ' ' TYR . 17.7 pt -117.23 -176.29 0.94 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.717 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.949 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -126.52 123.5 37.91 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.473 0.709 . . . . 0.0 109.923 -172.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 71' ' ' LEU . 96.7 m-85 -117.76 131.59 56.57 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 167.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -98.41 138.55 35.48 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 168.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 2.9 tm? -60.12 -27.64 67.21 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.484 0.714 . . . . 0.0 109.753 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.08 -38.31 95.36 Favored Glycine 0 C--N 1.354 1.537 0 O-C-N 123.449 0.468 . . . . 0.0 113.036 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 42.8 mt-10 -66.58 -37.39 84.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.373 0.669 . . . . 0.0 110.082 173.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.727 HD13 HD12 ' A' ' 62' ' ' LEU . 4.4 mm? -64.49 -30.94 71.97 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.565 0.746 . . . . 0.0 111.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 23.8 mm-40 -62.91 -28.67 70.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.768 0.427 . . . . 0.0 111.051 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -81.03 -18.66 45.99 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.502 0.721 . . . . 0.0 110.57 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.727 HD12 HD13 ' A' ' 59' ' ' LEU . 30.2 mt -91.89 107.8 19.47 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 123.214 0.605 . . . . 0.0 110.173 -173.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HA ' H381 ' A' ' 88' ' ' PNS . 87.2 tttt -83.92 -27.38 28.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.579 0.751 . . . . 0.0 111.734 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -159.8 -175.06 4.92 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 54.3 t -72.03 -13.11 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.483 1.113 . . . . 0.0 110.576 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.63 -36.59 48.13 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 169.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 62' ' ' LEU . 13.4 m-20 -69.97 -35.91 74.82 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.928 0.491 . . . . 0.0 110.261 171.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.4 mm? -65.79 -32.95 74.77 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 123.471 0.482 . . . . 0.0 110.174 169.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.71 88.1 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 55.0 m-20 -59.36 -58.2 9.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.262 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.525 1.13 . . . . 0.0 111.786 -164.352 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.416 HG22 ' HZ ' ' A' ' 54' ' ' PHE . 95.8 t -60.74 -40.36 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.168 0.587 . . . . 0.0 110.558 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -66.92 -31.1 71.47 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.246 0.218 . . . . 0.0 111.004 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 70.3 mmtt -63.62 -43.69 96.12 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.65 0.594 . . . . 0.0 109.575 177.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -68.2 -46.84 69.52 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.334 0.654 . . . . 0.0 110.36 -178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -68.35 -23.71 64.72 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 0.0 111.206 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.39 -41.47 76.42 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.373 0.669 . . . . 0.0 110.965 170.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 28.7 mmt180 -73.76 -29.94 62.5 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.278 0.631 . . . . 0.0 111.117 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -84.09 -70.73 0.55 Allowed 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 tm? 54.33 -84.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.343 1.457 . . . . 0.0 109.752 -170.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 63.78 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.361 1.076 0 C-N-CA 124.732 1.213 . . . . 0.0 109.49 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -104.72 170.96 7.58 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.372 1.069 . . . . 0.0 109.493 172.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 86' ' ' HIS . 25.9 m170 -73.38 -27.18 61.33 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.072 0.549 . . . . 0.0 111.322 -178.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 64.86 28.51 12.75 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 122.11 0.957 . . . . 0.0 109.438 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 72.31 -52.94 0.7 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.599 1.96 . . . . 0.0 111.05 -173.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 83' ' ' HIS . 54.7 t-80 67.99 90.85 0.09 Allowed 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.998 1.319 . . . . 0.0 111.556 167.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.362 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.522 H312 ' NE2' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.98 0 CA-C-O 120.938 0.399 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -96.17 33.02 0.15 Allowed 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 123.227 2.618 . . . . 0.0 110.787 172.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 m -61.54 -50.45 72.62 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.857 0.863 . . . . 0.0 112.284 -161.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.23 -53.16 61.22 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.426 0.69 . . . . 0.0 111.5 -177.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -72.79 -29.11 63.01 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.698 -175.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.18 -33.46 71.76 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.241 0.616 . . . . 0.0 110.928 174.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.72 -28.87 62.92 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.543 0.737 . . . . 0.0 110.123 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.6 m -54.48 -48.31 95.3 Favored Pre-proline 0 CA--C 1.57 1.737 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -172.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.48 -26.3 76.3 Favored 'Trans proline' 0 C--N 1.394 2.952 0 C-N-CA 122.444 2.096 . . . . 0.0 113.436 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.62 -48.99 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 CA-C-O 121.508 0.67 . . . . 0.0 109.401 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HA ' HD11 ' A' ' 42' ' ' LEU . 2.4 m-85 -70.25 -42.28 72.4 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.294 -175.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.527 HH21 HG22 ' A' ' 21' ' ' VAL . 96.6 mtt180 -58.56 -42.35 87.7 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 0.0 111.226 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -59.02 -49.03 79.46 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.003 0.815 . . . . 0.0 110.485 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -54.88 -52.72 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.171 0.988 . . . . 0.0 112.078 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.37 1.88 56.14 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -172.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 58.2 21.45 8.1 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.516 1.127 . . . . 0.0 111.036 -174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.77 172.87 6.68 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.93 0.892 . . . . 0.0 110.412 -169.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -144.0 -22.19 0.57 Allowed 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.716 0.807 . . . . 0.0 110.871 -178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.9 m -76.49 -17.94 59.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.737 0.815 . . . . 0.0 110.619 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.59 HG12 HD13 ' A' ' 31' ' ' ILE . 64.6 mt -69.06 106.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HH21 ' A' ' 12' ' ' ARG . 77.1 t -118.23 111.76 35.44 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 174.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 65' ' ' VAL . 74.6 mt -73.11 140.13 46.92 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.762 0.791 . . . . 0.0 111.837 -171.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.77 172.17 13.07 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 113.541 -1.663 . . . . 0.0 106.882 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -58.07 -28.62 64.72 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.94 9.08 12.72 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.0 m -60.17 134.51 57.12 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 168.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.528 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 88.9 p -154.96 176.47 12.48 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.525 0.678 . . . . 0.0 111.296 -172.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.75 -10.29 59.53 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.676 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -95.51 -32.42 12.87 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.677 0.791 . . . . 0.0 109.052 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.528 ' HB3' ' H ' ' A' ' 27' ' ' SER . 28.1 t70 -64.6 -26.71 68.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.955 1.302 . . . . 0.0 112.446 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.59 HD13 HG12 ' A' ' 20' ' ' ILE . 75.6 mt -125.89 126.04 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.454 0.702 . . . . 0.0 110.005 -172.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.25 -35.07 77.35 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.022 0.929 . . . . 0.0 111.567 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.73 -15.63 63.01 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.909 0.883 . . . . 0.0 112.448 177.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -89.65 123.75 33.97 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.52 0.728 . . . . 0.0 109.603 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.19 139.55 50.63 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.766 1.226 . . . . 0.0 110.505 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -36.09 -61.33 0.5 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.005 1.722 . . . . 0.0 114.014 170.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.72 -29.02 69.83 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.458 0.703 . . . . 0.0 112.062 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.8 m -74.1 -18.27 60.83 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.046 0.539 . . . . 0.0 111.904 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' HA ' HD23 ' A' ' 42' ' ' LEU . 23.4 m-70 -52.0 -36.16 49.05 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.537 0.735 . . . . 0.0 112.301 171.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.7 mmm -61.51 -31.64 71.64 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -64.69 -35.63 81.65 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 123.641 0.588 . . . . 0.0 110.49 173.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.9 mm? -65.13 -54.71 25.66 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.738 177.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -51.46 -57.95 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 O-C-N 124.369 1.043 . . . . 0.0 110.313 -174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -60.78 -33.79 56.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 123.43 0.456 . . . . 0.0 112.014 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -70.34 -38.81 74.92 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.117 0.567 . . . . 0.0 111.643 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 50.4 mt -70.35 -36.94 74.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.956 0.502 . . . . 0.0 110.007 -178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 11.0 mm-40 -61.34 -52.1 66.08 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.366 1.066 . . . . 0.0 110.74 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.03 -43.33 32.05 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -67.74 -48.23 67.03 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 123.188 0.595 . . . . 0.0 111.2 -177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' C ' ' HZ2' ' A' ' 51' ' ' LYS . 96.1 m-85 -94.05 -5.2 48.01 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER 60.73 27.13 16.89 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.595 1.158 . . . . 0.0 110.932 178.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.7 pt -100.53 177.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -148.04 106.43 3.77 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.702 0.287 . . . . 0.0 111.135 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.66 141.36 30.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.286 0.634 . . . . 0.0 109.574 172.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.66 159.87 15.65 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 162.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.3 OUTLIER -62.13 -26.3 68.23 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 176.064 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.21 -33.86 88.39 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 120.251 -0.194 . . . . 0.0 112.908 172.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 5.1 mm-40 -69.17 -42.14 76.28 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.292 0.637 . . . . 0.0 109.543 174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -54.23 -45.85 72.4 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.576 1.151 . . . . 0.0 111.498 177.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 19.1 mm-40 -55.02 -26.21 35.55 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.206 1.002 . . . . 0.0 112.768 178.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -97.49 -9.02 27.93 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.549 0.74 . . . . 0.0 111.951 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD12 HD13 ' A' ' 59' ' ' LEU . 75.2 mt -83.79 89.46 7.18 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.303 0.641 . . . . 0.0 109.452 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -87.92 -33.48 18.47 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.115 0.566 . . . . 0.0 110.391 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -141.13 176.17 9.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.162 0.985 . . . . 0.0 108.93 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.636 HG11 HD13 ' A' ' 22' ' ' LEU . 61.2 t -69.58 -16.41 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 124.459 1.104 . . . . 0.0 111.263 175.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.43 -37.98 90.61 Favored Glycine 0 C--N 1.349 1.274 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -64.12 -41.6 97.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.396 0.678 . . . . 0.0 110.629 172.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.74 -45.58 85.63 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 172.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.57 73.3 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.096 0.558 . . . . 0.0 110.99 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 14.6 t70 -66.0 -60.96 2.32 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 123.969 0.793 . . . . 0.0 110.462 174.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.86 -46.2 82.88 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.699 0.399 . . . . 0.0 112.008 -171.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.6 t -54.94 -44.68 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.569 0.748 . . . . 0.0 110.099 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -59.97 -41.55 92.2 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 123.633 0.773 . . . . 0.0 112.19 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 39.2 mmtm -67.76 -39.13 84.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 123.652 0.595 . . . . 0.0 111.175 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -80.44 -26.28 38.46 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.683 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -81.9 -18.65 42.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.555 0.742 . . . . 0.0 110.928 171.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.59 -34.66 72.4 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.982 0.513 . . . . 0.0 109.845 166.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -77.39 -27.93 52.62 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.801 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -85.08 -59.0 2.46 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.894 0.477 . . . . 0.0 110.836 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.1 mt 72.91 -6.17 1.74 Allowed 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.485 1.914 . . . . 0.0 113.278 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 58.77 -84.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.845 1.258 . . . . 0.0 110.804 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -119.3 108.37 14.53 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 168.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -49.78 -56.88 8.66 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.729 1.268 . . . . 0.0 112.115 -169.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.9 m80 60.23 -156.67 0.34 Allowed 'General case' 0 CA--C 1.557 1.213 0 O-C-N 124.116 0.885 . . . . 0.0 110.066 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 72.6 -75.82 0.07 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.181 1.392 . . . . 0.0 110.185 173.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -143.14 -70.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.877 0.871 . . . . 0.0 109.802 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.11 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.472 H303 ' H36' ' A' ' 88' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -93.86 49.01 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 123.885 3.057 . . . . 0.0 110.944 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 57.1 p -63.66 -63.82 1.07 Allowed 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.045 -171.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.463 HD11 ' HG2' ' A' ' 24' ' ' ARG . 87.8 mt -60.62 -39.77 89.41 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.528 0.731 . . . . 0.0 110.75 176.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -56.44 -41.77 76.99 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 124.106 0.962 . . . . 0.0 111.901 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.25 -34.18 49.23 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.834 0.854 . . . . 0.0 111.158 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.528 HD21 HG21 ' A' ' 72' ' ' VAL . 93.2 mt -71.15 -32.9 69.52 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.089 0.556 . . . . 0.0 111.175 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -53.39 -54.75 41.87 Favored Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 118.047 -0.978 . . . . 0.0 112.512 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -66.04 -25.55 51.38 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 122.253 1.968 . . . . 0.0 113.19 177.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.4 mm -65.56 -52.28 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.768 0.427 . . . . 0.0 109.867 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -64.42 -40.57 96.02 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -61.34 -28.55 69.3 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.092 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -78.08 -53.31 7.53 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.989 0.515 . . . . 0.0 110.494 174.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' ' 42' ' ' LEU . 62.7 t -51.78 -56.28 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 124.724 1.21 . . . . 0.0 112.47 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -83.39 -12.42 56.5 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.634 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.8 t70 60.76 64.6 1.14 Allowed 'General case' 0 C--N 1.358 0.937 0 C-N-CA 124.779 1.232 . . . . 0.0 110.088 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -164.3 118.58 1.44 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.197 -1.365 . . . . 0.0 109.305 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -85.37 -8.61 58.36 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.656 0.782 . . . . 0.0 110.604 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 m -79.5 -11.19 59.9 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.664 0.386 . . . . 0.0 111.561 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -59.85 117.72 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.287 0.635 . . . . 0.0 110.594 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -119.65 106.55 19.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD13 HG11 ' A' ' 65' ' ' VAL . 84.7 mt -77.05 141.83 40.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.303 0.573 . . . . 0.0 111.528 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.2 p -122.73 177.03 5.63 Favored 'General case' 0 C--O 1.247 0.932 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 164.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HG2' HD11 ' A' ' 4' ' ' LEU . 42.7 mtm180 -68.61 -45.86 70.82 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 122.144 -0.348 . . . . 0.0 110.837 177.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -78.09 5.95 8.97 Favored 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 97.9 m -63.32 95.49 0.09 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.855 0.862 . . . . 0.0 111.191 173.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.4 m -92.04 177.02 6.29 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -14.17 42.09 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.1 -30.8 55.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.889 0.876 . . . . 0.0 110.523 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -68.88 -31.2 69.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.963 0.905 . . . . 0.0 111.199 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.58 110.61 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -67.37 -26.44 66.47 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.271 0.628 . . . . 0.0 111.846 -175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.35 60.0 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.145 0.578 . . . . 0.0 112.357 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -82.89 70.99 9.99 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.387 0.675 . . . . 0.0 110.734 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.97 167.27 21.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.306 1.042 . . . . 0.0 109.74 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -52.89 -37.51 60.65 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.136 0.974 . . . . 0.0 111.98 175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.06 -39.04 93.21 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.212 1.005 . . . . 0.0 110.114 175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -31.36 70.79 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 123.506 0.722 . . . . 0.0 110.997 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' HE1' H421 ' A' ' 88' ' ' PNS . 86.4 m-70 -60.98 -42.07 97.67 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.505 0.722 . . . . 0.0 110.839 170.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 83.2 mmm -61.49 -46.52 89.67 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.572 0.545 . . . . 0.0 110.61 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -59.66 -42.86 93.81 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.522 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.8 tm? -62.82 -48.39 79.27 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.657 1.183 . . . . 0.0 111.109 -177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 30.4 mm -69.85 -47.79 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 118.792 -0.623 . . . . 0.0 110.877 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -63.87 -24.96 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 CA-C-N 118.115 0.416 . . . . 0.0 111.986 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -65.62 -46.33 79.71 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.312 0.645 . . . . 0.0 110.606 168.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.0 -36.71 84.46 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.65 0.38 . . . . 0.0 110.943 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 8.9 mm-40 -62.16 -54.15 45.23 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.982 0.913 . . . . 0.0 110.369 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -72.01 -44.21 66.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -66.38 -54.56 22.97 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.149 0.579 . . . . 0.0 112.141 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -92.56 -4.92 52.7 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? 62.2 27.77 16.67 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.425 1.09 . . . . 0.0 111.172 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 pt -102.46 -176.38 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 123.453 0.701 . . . . 0.0 111.203 -172.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -133.19 132.95 42.14 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.869 0.868 . . . . 0.0 110.286 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.47 ' HZ ' HG22 ' A' ' 72' ' ' VAL . 97.7 m-85 -128.23 142.6 51.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.302 0.641 . . . . 0.0 109.388 164.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.14 153.01 22.7 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 171.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.96 -28.77 68.54 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.38 -39.3 94.6 Favored Glycine 0 C--N 1.352 1.444 0 O-C-N 123.306 0.379 . . . . 0.0 112.466 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.9 mt-10 -66.09 -40.62 90.93 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.133 0.573 . . . . 0.0 110.141 174.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD11 HD11 ' A' ' 43' ' ' ILE . 4.5 mm? -58.45 -35.54 72.31 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 124.306 1.042 . . . . 0.0 112.34 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.617 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -69.68 -23.68 63.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.81 0.444 . . . . 0.0 111.397 178.122 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -95.42 -9.76 31.81 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.678 0.791 . . . . 0.0 111.37 175.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD21 ' HG ' ' A' ' 71' ' ' LEU . 98.2 mt -88.43 102.66 15.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HA ' H381 ' A' ' 88' ' ' PNS . 12.8 tmtt? -89.68 -27.86 19.84 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.993 0.517 . . . . 0.0 110.035 -175.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -157.84 178.94 9.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.036 0.534 . . . . 0.0 111.982 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.542 HG11 HD13 ' A' ' 22' ' ' LEU . 41.9 t -68.02 -16.75 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.454 1.101 . . . . 0.0 111.315 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -38.02 56.97 Favored Glycine 0 C--N 1.34 0.759 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 34.2 m-20 -63.84 -41.33 97.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 169.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.3 mm? -63.78 -31.37 72.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.066 0.546 . . . . 0.0 111.718 174.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.19 -51.17 67.43 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 118.664 0.665 . . . . 0.0 109.811 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 12.5 m-20 -65.69 -41.04 92.88 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.926 176.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.606 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.59 -55.05 9.73 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.269 0.628 . . . . 0.0 110.535 -170.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG21 HD21 ' A' ' 7' ' ' LEU . 95.6 t -54.85 -37.14 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 123.667 0.787 . . . . 0.0 110.334 174.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.52 -40.55 97.11 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.252 0.621 . . . . 0.0 111.431 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 14.7 mmmm -64.43 -39.91 94.74 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 123.474 0.484 . . . . 0.0 109.702 179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 71.5 mmtt -68.51 -45.84 71.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.849 0.86 . . . . 0.0 110.539 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.76 -36.72 85.23 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.671 0.788 . . . . 0.0 110.504 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.59 81.09 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.648 0.779 . . . . 0.0 110.97 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -70.27 -34.66 73.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.171 0.588 . . . . 0.0 111.238 173.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.6 mmtt -70.15 -17.39 63.18 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.688 0.795 . . . . 0.0 111.922 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.71 94.38 0.44 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 166.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -57.54 -49.13 77.35 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.862 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -167.12 -30.69 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.867 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -157.29 143.79 18.06 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 122.98 0.512 . . . . 0.0 110.816 -174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -166.56 -76.9 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -160.72 80.46 0.64 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.141 0.576 . . . . 0.0 109.992 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -157.07 142.45 17.34 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.337 1.455 . . . . 0.0 108.491 174.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 . . . . . 0 CA--C 1.555 1.171 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 173.59 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.626 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 3' ' ' THR . 23.7 ptt? . . . . . 0 CA--C 1.555 1.141 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -96.17 44.78 0.14 Allowed 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 123.413 2.742 . . . . 0.0 111.558 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.513 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 31.3 p -62.03 -75.74 0.07 Allowed 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.983 0.913 . . . . 0.0 112.731 -168.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.74 -30.03 71.18 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.815 0.446 . . . . 0.0 110.432 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -55.12 -42.83 73.48 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.906 0.882 . . . . 0.0 111.59 176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.35 20.56 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.623 0.769 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -73.02 -39.39 66.02 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.715 0.406 . . . . 0.0 111.65 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -56.57 -50.17 89.34 Favored Pre-proline 0 N--CA 1.485 1.294 0 CA-C-O 117.784 -1.103 . . . . 0.0 113.256 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.99 -27.31 74.24 Favored 'Trans proline' 0 C--N 1.39 2.741 0 C-N-CA 121.779 1.653 . . . . 0.0 113.233 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -70.35 -41.79 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.49 -42.67 87.08 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.397 0.679 . . . . 0.0 110.363 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -61.99 -25.19 67.48 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.967 0.507 . . . . 0.0 111.475 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -84.4 -60.73 1.99 Allowed 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 123.199 0.6 . . . . 0.0 111.234 177.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.21 -44.17 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 124.43 1.092 . . . . 0.0 111.534 -174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -90.39 -17.56 27.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.093 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.3 t70 58.07 80.77 0.17 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.207 1.003 . . . . 0.0 110.841 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -172.43 108.91 0.21 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.2 -17.66 61.91 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.368 0.667 . . . . 0.0 111.891 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -79.24 -6.52 56.84 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.19 -0.319 . . . . 0.0 111.121 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.51 109.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-O 120.979 0.418 . . . . 0.0 110.038 172.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.32 101.27 11.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.113 -1.81 . . . . 0.0 106.113 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.485 HD13 HG11 ' A' ' 65' ' ' VAL . 83.6 mt -71.14 135.11 47.46 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.053 0.454 . . . . 0.0 111.871 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.2 p -130.22 157.5 42.32 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 173.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -64.0 -29.02 70.21 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.26 15.36 29.02 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.9 m -70.35 132.61 45.91 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 167.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -130.46 -175.01 3.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.577 0.626 . . . . 0.0 110.083 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -18.69 64.39 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.25 -36.89 61.23 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.32 -9.66 59.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.395 0.678 . . . . 0.0 111.518 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -125.84 106.25 15.77 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.53 -38.66 69.54 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 124.541 1.136 . . . . 0.0 112.914 -176.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.2 12.37 22.5 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.242 0.617 . . . . 0.0 112.483 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -88.03 74.84 8.83 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.307 0.575 . . . . 0.0 109.513 174.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -68.32 162.68 24.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.187 0.995 . . . . 0.0 111.151 174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.06 -35.19 64.25 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.144 0.978 . . . . 0.0 110.922 173.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 37' ' ' LEU . 2.3 mm? -70.69 -35.97 73.06 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.249 177.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 m -65.75 -35.43 80.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.757 0.823 . . . . 0.0 110.712 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.499 ' HE1' H421 ' A' ' 88' ' ' PNS . 82.7 m-70 -54.55 -48.28 72.23 Favored 'General case' 0 N--CA 1.484 1.27 0 O-C-N 123.975 0.797 . . . . 0.0 110.978 170.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 85.1 mmm -59.37 -43.29 92.9 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.13 0.572 . . . . 0.0 111.259 -177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -67.84 -44.44 77.17 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.888 0.875 . . . . 0.0 111.383 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.59 -43.95 88.14 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.723 0.809 . . . . 0.0 110.661 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.99 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.659 1.183 . . . . 0.0 110.846 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.93 -29.63 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 O-C-N 123.485 0.49 . . . . 0.0 111.457 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.1 m -61.1 -46.51 90.3 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.198 0.599 . . . . 0.0 110.796 173.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 52.0 mt -65.36 -42.14 93.1 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.056 0.455 . . . . 0.0 110.794 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.8 -51.14 69.5 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.89 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.49 -40.82 77.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.04 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.14 -50.27 49.39 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 79' ' ' LYS . 89.3 m-85 -82.88 -8.93 59.53 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.32 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 67.45 26.29 8.32 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 125.052 1.341 . . . . 0.0 111.205 -176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 pt -101.38 171.27 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 124.202 1.001 . . . . 0.0 110.412 -175.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -145.99 131.38 18.62 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.033 0.533 . . . . 0.0 110.2 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -131.68 157.04 44.79 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.293 1.037 . . . . 0.0 110.134 174.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.34 156.8 17.47 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.11 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.64 -25.59 65.8 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.45 0.7 . . . . 0.0 109.322 -177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.99 92.84 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-N 116.691 -0.231 . . . . 0.0 112.685 171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 46.5 mt-10 -72.51 -28.65 63.01 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.325 0.65 . . . . 0.0 110.873 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.723 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -68.85 -30.4 68.92 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.705 0.802 . . . . 0.0 111.048 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -72.39 -22.34 61.14 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.585 0.354 . . . . 0.0 110.585 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -82.57 -5.48 58.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.527 0.731 . . . . 0.0 111.44 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 59' ' ' LEU . 25.8 mt -103.78 126.15 50.72 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 175.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -109.23 -26.09 10.26 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -135.07 173.87 11.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.421 0.688 . . . . 0.0 111.478 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG11 HD13 ' A' ' 22' ' ' LEU . 39.7 t -64.9 -31.6 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.871 1.269 . . . . 0.0 110.576 172.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.57 -34.93 79.93 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.274 0.359 . . . . 0.0 112.278 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.98 -41.64 86.46 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.915 0.486 . . . . 0.0 109.746 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 tp -69.35 -27.73 65.59 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.969 0.908 . . . . 0.0 111.429 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.513 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -73.46 -45.92 51.32 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.903 0.881 . . . . 0.0 108.969 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 16.4 t70 -60.85 -36.8 80.08 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 113.625 -1.625 . . . . 0.0 110.096 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.639 ' HG ' HD11 ' A' ' 62' ' ' LEU . 2.6 tm? -63.65 -55.12 25.97 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.241 1.017 . . . . 0.0 109.973 179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 84.6 t -59.28 -36.97 66.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 O-C-N 123.835 0.709 . . . . 0.0 109.67 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.58 -42.72 97.25 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.764 1.225 . . . . 0.0 111.587 174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 42.9 mmtm -69.76 -33.97 73.16 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.758 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 74.3 mmtt -71.01 -40.98 71.48 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.733 0.813 . . . . 0.0 110.423 177.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 94.7 mt -64.47 -31.99 73.44 Favored 'General case' 0 C--O 1.201 -1.49 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.03 174.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 80' ' ' LEU . . . -69.12 -33.31 73.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.115 0.566 . . . . 0.0 110.783 176.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 29.6 mmt180 -64.42 -24.42 67.62 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 122.597 0.359 . . . . 0.0 110.329 173.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 62.9 mttm -91.75 -31.55 15.74 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.671 0.789 . . . . 0.0 110.991 175.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 76' ' ' LEU . 3.7 mm? -87.43 44.48 1.19 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.796 1.238 . . . . 0.0 109.602 -175.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -84.75 48.28 1.51 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.596 1.158 . . . . 0.0 109.92 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -88.01 69.07 9.34 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -76.38 82.18 3.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -78.47 9.09 4.25 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.258 1.023 . . . . 0.0 111.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.8 m80 69.04 27.51 5.34 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.821 1.248 . . . . 0.0 112.383 168.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -139.04 141.74 38.24 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.688 0.795 . . . . 0.0 109.306 174.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 . . . . . 0 CA--C 1.557 1.229 0 C-N-CA 124.788 1.235 . . . . 0.0 110.316 -176.611 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.499 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -96.92 47.77 0.11 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.785 2.99 . . . . 0.0 111.226 -175.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.1 p -66.51 -28.0 68.21 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -170.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.7 mt -92.88 -52.12 4.75 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.348 0.659 . . . . 0.0 109.79 168.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -58.57 -51.22 70.83 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.714 1.206 . . . . 0.0 113.678 -169.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.61 79.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.536 0.735 . . . . 0.0 110.746 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.479 HD11 HG21 ' A' ' 72' ' ' VAL . 41.5 mt -75.86 -24.46 55.75 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.084 -178.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -56.05 -48.81 96.01 Favored Pre-proline 0 CA--C 1.566 1.593 0 CA-C-O 117.949 -1.024 . . . . 0.0 113.51 -173.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 -24.31 77.28 Favored 'Trans proline' 0 C--N 1.398 3.142 0 C-N-CA 122.653 2.235 . . . . 0.0 113.487 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.95 -43.91 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.498 0.719 . . . . 0.0 109.587 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 7' ' ' LEU . 22.1 m-85 -69.08 -41.99 76.79 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.053 0.541 . . . . 0.0 109.886 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.33 -25.96 68.54 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.121 0.568 . . . . 0.0 111.768 175.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -75.14 -55.49 5.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.056 0.543 . . . . 0.0 110.249 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.3 t -62.56 -53.97 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 124.136 0.974 . . . . 0.0 111.72 -175.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -89.04 -13.09 39.52 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.542 0.737 . . . . 0.0 111.824 -173.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 54.75 66.29 1.27 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.93 1.292 . . . . 0.0 110.79 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -154.44 101.43 2.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.752 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.93 -10.35 59.71 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.496 0.718 . . . . 0.0 111.825 -176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 p -86.95 1.19 53.53 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 122.096 -0.377 . . . . 0.0 110.932 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.62 107.15 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.71 102.5 12.47 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HG11 ' A' ' 65' ' ' VAL . 69.1 mt -65.95 139.26 58.23 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.924 0.868 . . . . 0.0 112.14 -167.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 p -125.44 168.8 13.1 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 171.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -68.48 -21.54 64.61 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -94.61 -4.93 46.87 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 m -59.74 111.15 1.34 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.8 0.44 . . . . 0.0 110.541 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.632 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 4.1 m -126.49 173.89 9.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.17 0.588 . . . . 0.0 110.297 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.434 ' CB ' H301 ' A' ' 88' ' ' PNS . . . -87.25 92.15 8.97 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 8.5 t30 158.81 -63.76 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 105.174 -2.158 . . . . 0.0 105.174 -146.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -77.43 -14.21 59.75 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.744 1.218 . . . . 0.0 111.558 177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.4 mt -129.16 121.77 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -74.68 -35.25 62.77 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.263 1.025 . . . . 0.0 111.236 -176.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.31 -5.07 42.82 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.985 0.914 . . . . 0.0 112.774 -178.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.414 ' HZ3' HG22 ' A' ' 26' ' ' THR . 3.7 t90 -87.06 71.78 10.14 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 123.995 0.918 . . . . 0.0 109.695 -176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.64 167.2 13.54 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.595 1.158 . . . . 0.0 111.777 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.6 m -46.98 -57.82 4.61 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.982 1.313 . . . . 0.0 112.082 172.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.3 -34.12 75.58 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.293 -175.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.2 m -64.28 -40.23 95.55 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.704 0.801 . . . . 0.0 110.137 175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.419 ' HE1' ' S44' ' A' ' 88' ' ' PNS . 85.6 t60 -63.53 -42.41 98.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.639 1.176 . . . . 0.0 110.927 175.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.7 mmm -66.5 -35.52 80.45 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.132 0.573 . . . . 0.0 110.924 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.55 -37.55 87.73 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 124.051 0.845 . . . . 0.0 109.934 175.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.3 tm? -65.23 -45.5 84.42 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.333 0.653 . . . . 0.0 110.646 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.749 HG12 HD11 ' A' ' 59' ' ' LEU . 1.6 mp -62.0 -48.94 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.199 0.6 . . . . 0.0 110.839 -178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.3 -21.85 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 122.505 0.322 . . . . 0.0 111.793 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.0 m -64.87 -44.47 89.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.721 0.408 . . . . 0.0 110.917 170.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.95 -33.44 76.04 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.975 0.417 . . . . 0.0 110.623 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -63.52 -53.19 55.76 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.153 0.981 . . . . 0.0 111.145 175.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.95 -42.75 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -67.17 -62.86 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.373 0.669 . . . . 0.0 111.572 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.45 ' HB2' HG12 ' A' ' 52' ' ' ILE . 97.3 m-85 -92.31 -10.65 37.59 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -167.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mptt 64.47 21.43 12.46 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.212 1.005 . . . . 0.0 111.615 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 50' ' ' TYR . 19.6 pt -97.33 133.67 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -97.65 111.35 23.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.767 1.227 . . . . 0.0 109.356 -169.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -95.15 131.08 41.56 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 167.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.83 149.43 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 tm? -59.7 -29.51 68.16 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.405 0.682 . . . . 0.0 110.571 177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.02 -44.77 97.78 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 170.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 48.6 mt-10 -68.56 -30.62 69.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.617 0.767 . . . . 0.0 110.601 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.749 HD11 HG12 ' A' ' 43' ' ' ILE . 2.6 mm? -60.63 -44.36 96.45 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.477 1.111 . . . . 0.0 111.067 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -71.14 -13.98 62.13 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.949 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -99.46 -6.36 27.75 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.95 0.9 . . . . 0.0 111.729 175.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 96.0 mt -84.77 103.43 13.84 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 172.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.41 -36.55 14.52 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.108 0.563 . . . . 0.0 110.07 176.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.518 HD22 ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -150.06 -179.09 6.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.827 0.851 . . . . 0.0 111.931 -176.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.511 HG11 HD13 ' A' ' 22' ' ' LEU . 60.5 t -70.24 -14.74 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 124.364 1.065 . . . . 0.0 110.645 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.18 96.55 Favored Glycine 0 C--N 1.344 1.0 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 168.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.518 ' H ' HD22 ' A' ' 64' ' ' ASN . 23.7 m-20 -68.38 -42.11 79.6 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 123.056 0.542 . . . . 0.0 109.817 174.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.61 -37.64 79.14 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 173.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.79 98.68 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.66 0.384 . . . . 0.0 110.581 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -64.69 -51.13 64.09 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.749 0.82 . . . . 0.0 110.565 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.7 -54.29 20.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.558 0.743 . . . . 0.0 110.932 -172.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG21 HD11 ' A' ' 7' ' ' LEU . 95.6 t -52.99 -42.69 45.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 123.86 0.864 . . . . 0.0 110.856 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.04 -42.38 97.09 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.234 0.613 . . . . 0.0 111.197 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 31.6 mmtp -63.26 -41.68 99.06 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.578 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 62.9 mttm -75.33 -36.88 60.98 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.519 0.728 . . . . 0.0 110.606 -175.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.18 -34.03 76.66 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.866 0.467 . . . . 0.0 110.405 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.71 79.27 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.516 0.726 . . . . 0.0 110.977 171.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 18.5 mmm180 -73.93 -33.92 64.13 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 123.078 0.551 . . . . 0.0 110.167 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 72.2 mmtt -65.64 -7.35 14.7 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.07 84.54 0.13 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 121.604 0.716 . . . . 0.0 109.673 171.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.77 -147.36 0.22 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.798 1.239 . . . . 0.0 108.168 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -86.15 -169.59 2.71 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.419 . . . . 0.0 109.953 169.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 m80 70.03 -77.19 0.06 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 125.027 1.331 . . . . 0.0 110.413 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 40.7 m80 68.92 157.71 0.15 Allowed 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.306 1.442 . . . . 0.0 112.863 -176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -153.68 105.76 2.83 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 173.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 63.68 168.73 0.15 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 124.844 1.258 . . . . 0.0 110.776 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 . . . . . 0 CA--C 1.554 1.096 0 CA-C-O 118.758 -0.639 . . . . 0.0 109.453 174.395 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.434 H301 ' CB ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -99.19 40.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 123.74 2.96 . . . . 0.0 112.504 -175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p -63.71 -73.95 0.11 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-O 118.431 -0.795 . . . . 0.0 111.827 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 7' ' ' LEU . 70.9 mt -59.36 -32.64 70.3 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.723 0.692 . . . . 0.0 111.375 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.39 -46.34 69.63 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.035 0.934 . . . . 0.0 111.592 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.42 -12.53 27.63 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.753 0.821 . . . . 0.0 112.113 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 4' ' ' LEU . 55.7 mt -80.76 -40.94 24.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.984 0.514 . . . . 0.0 110.043 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.9 m -52.23 -49.17 86.32 Favored Pre-proline 0 CA--C 1.571 1.779 0 CA-C-O 118.298 -0.858 . . . . 0.0 113.209 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -59.94 -31.84 94.26 Favored 'Trans proline' 0 C--N 1.386 2.536 0 C-N-CA 122.022 1.815 . . . . 0.0 113.146 172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.7 mm -70.54 -47.2 66.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 C-N-CA 123.162 0.585 . . . . 0.0 110.668 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.15 -44.7 75.42 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.648 0.779 . . . . 0.0 109.949 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.54 -16.86 63.51 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.005 0.522 . . . . 0.0 111.878 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -77.27 -56.38 4.61 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 122.97 0.508 . . . . 0.0 110.15 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 42' ' ' LEU . 55.1 t -57.69 -51.2 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.085 1.354 . . . . 0.0 111.959 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -88.56 -24.13 22.96 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.606 0.763 . . . . 0.0 111.473 -176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.7 t70 59.34 58.82 2.87 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.105 0.962 . . . . 0.0 110.714 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -156.19 119.75 4.34 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.135 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.33 -23.68 54.27 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.321 1.048 . . . . 0.0 111.586 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m -62.83 -23.43 67.27 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.855 0.462 . . . . 0.0 111.196 -178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.4 mt -68.79 105.39 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.074 0.95 . . . . 0.0 110.106 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.2 t -111.13 120.7 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 172.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -85.3 137.23 33.1 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.025 0.44 . . . . 0.0 111.157 -173.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.6 p -135.7 176.81 8.34 Favored 'General case' 0 C--O 1.248 1.026 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 166.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -75.34 -8.34 56.4 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.1 -9.0 16.29 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.149 0.58 . . . . 0.0 111.671 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -65.56 100.47 0.51 Allowed 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -88.85 169.95 11.15 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.618 ' HB2' H422 ' A' ' 88' ' ' PNS . . . -60.1 -31.87 70.44 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -70.59 -22.96 62.5 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.119 0.968 . . . . 0.0 109.989 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -79.28 -15.35 58.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.595 0.758 . . . . 0.0 111.331 174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.77 96.2 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.081 0.952 . . . . 0.0 109.183 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -75.83 92.04 3.03 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 164.74 -37.55 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.682 1.593 . . . . 0.0 108.228 -164.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.41 124.25 27.62 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.216 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -129.48 -179.94 5.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.944 1.297 . . . . 0.0 108.837 171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -27.24 68.7 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.237 0.615 . . . . 0.0 109.904 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.85 -43.69 78.87 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.992 0.917 . . . . 0.0 109.95 173.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.0 m -61.21 -36.62 80.4 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.058 0.543 . . . . 0.0 110.722 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.426 ' O ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -55.68 -45.98 77.68 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 124.06 0.85 . . . . 0.0 110.985 174.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.3 -41.75 94.06 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.03 0.532 . . . . 0.0 111.133 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.94 -43.85 94.6 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 124.266 0.979 . . . . 0.0 110.676 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 2.0 mm? -56.71 -62.13 1.94 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.264 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.98 -50.41 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.227 0.954 . . . . 0.0 110.838 -172.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.52 -34.82 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-N 118.513 0.597 . . . . 0.0 112.223 -176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -69.56 -41.54 75.73 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 121.036 0.446 . . . . 0.0 110.401 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 88.0 mt -69.29 -31.06 69.3 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.408 0.683 . . . . 0.0 111.422 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 40.6 mm-40 -60.85 -59.41 5.43 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.287 1.035 . . . . 0.0 109.504 175.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.43 -36.88 62.55 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.864 -170.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -68.33 -54.42 17.55 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.828 0.451 . . . . 0.0 112.154 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -85.93 -16.01 39.81 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.54 44.25 18.09 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.748 1.219 . . . . 0.0 111.146 -175.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.07 165.91 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 C-N-CA 123.176 0.59 . . . . 0.0 110.177 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.71 104.45 13.74 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.146 0.979 . . . . 0.0 110.589 -171.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.495 ' HB3' HD21 ' A' ' 59' ' ' LEU . 98.5 m-85 -87.87 112.31 22.36 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.089 0.955 . . . . 0.0 109.009 171.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.44 130.28 34.62 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -61.2 -25.57 67.13 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.685 0.794 . . . . 0.0 110.695 -174.111 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.27 -40.07 96.89 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.396 0.435 . . . . 0.0 112.443 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 45.0 mt-10 -67.34 -40.92 85.92 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.551 0.741 . . . . 0.0 110.114 174.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.681 HD13 HD12 ' A' ' 62' ' ' LEU . 4.6 mm? -57.72 -36.44 72.03 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.073 0.949 . . . . 0.0 111.593 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -59.77 -21.47 60.82 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.471 0.709 . . . . 0.0 112.699 174.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' A' ' 61' ' ' LYS . 10.8 mmpt? -107.97 0.66 22.03 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.039 0.936 . . . . 0.0 112.062 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.681 HD12 HD13 ' A' ' 59' ' ' LEU . 54.4 mt -94.64 90.86 6.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 174.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.634 ' HA ' H381 ' A' ' 88' ' ' PNS . 0.9 OUTLIER -80.76 -29.31 36.23 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.256 1.023 . . . . 0.0 110.597 -171.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.563 HD22 ' H ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -140.64 171.6 13.88 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.586 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.01 -24.29 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.559 1.144 . . . . 0.0 111.153 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.98 -37.66 74.03 Favored Glycine 0 C--N 1.349 1.252 0 CA-C-N 116.417 -0.356 . . . . 0.0 113.143 174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.563 ' H ' HD22 ' A' ' 64' ' ' ASN . 69.9 m-20 -67.73 -42.27 82.15 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 175.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . 58.0 tp -63.05 -40.54 98.02 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.268 176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 -44.91 77.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.531 0.732 . . . . 0.0 110.664 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.53 -36.65 78.93 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.083 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 2.5 tm? -70.51 -35.16 73.05 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.031 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 68' ' ' LEU . 92.5 t -62.98 -43.04 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 122.774 0.43 . . . . 0.0 110.222 171.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -59.18 -41.13 87.74 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 123.475 0.71 . . . . 0.0 110.483 175.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -61.92 -43.77 98.16 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.417 1.073 . . . . 0.0 110.839 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.0 mmtt -65.85 -43.8 87.36 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.313 0.645 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.48 -20.99 62.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.215 0.606 . . . . 0.0 111.262 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.48 27.4 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.534 0.734 . . . . 0.0 110.167 172.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -73.0 -31.45 64.5 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.545 0.738 . . . . 0.0 110.34 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -83.58 -72.11 0.47 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.4 mt 57.9 13.65 2.22 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 124.873 1.269 . . . . 0.0 111.379 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -85.02 -173.37 4.69 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.404 1.482 . . . . 0.0 109.941 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 62.7 79.47 0.26 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.059 0.944 . . . . 0.0 109.238 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -77.31 80.54 3.81 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -153.39 87.07 1.23 Allowed 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -99.47 141.67 31.96 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -62.64 -24.81 67.8 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.93 0.492 . . . . 0.0 111.778 -177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 124.304 1.042 . . . . 0.0 109.302 174.198 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.634 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 ttm . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.12 -7.83 9.06 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 122.67 2.247 . . . . 0.0 113.35 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 18.3 p -62.52 -49.76 74.05 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 118.469 -0.776 . . . . 0.0 111.777 -176.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -52.6 -43.85 65.62 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.679 0.792 . . . . 0.0 112.189 -177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -57.63 -43.84 85.12 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.316 1.047 . . . . 0.0 111.301 177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.7 -31.19 63.28 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 3' ' ' THR . 95.7 mt -75.29 -29.15 60.01 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.013 0.525 . . . . 0.0 110.179 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -54.89 -50.03 88.48 Favored Pre-proline 0 CA--C 1.568 1.656 0 CA-C-O 118.259 -0.877 . . . . 0.0 113.322 -174.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -63.38 -25.01 71.17 Favored 'Trans proline' 0 C--N 1.392 2.858 0 C-N-CA 122.117 1.878 . . . . 0.0 112.765 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 38.5 mm -69.12 -47.91 72.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.83 -46.01 80.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.538 0.735 . . . . 0.0 110.491 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -59.52 -34.9 73.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.78 0.832 . . . . 0.0 111.288 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -70.15 -53.73 15.99 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.484 0.714 . . . . 0.0 110.998 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' ILE . 90.9 t -55.49 -54.6 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 123.747 0.819 . . . . 0.0 111.338 -178.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CE2' HD21 ' A' ' 42' ' ' LEU . 83.8 m-85 -84.44 -4.22 58.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -175.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 77.51 -9.91 1.44 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.392 1.077 . . . . 0.0 112.057 171.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.46 131.31 55.16 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.5 0.72 . . . . 0.0 110.757 -172.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -86.13 -0.69 56.26 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.068 0.947 . . . . 0.0 113.432 -174.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 m -74.64 -15.82 60.8 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.151 0.432 . . . . 0.0 111.338 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -64.76 115.02 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.394 0.677 . . . . 0.0 110.784 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.05 132.24 66.16 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 N-CA-C 106.419 -1.697 . . . . 0.0 106.419 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.4 mt -97.92 140.03 32.88 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.81 0.814 . . . . 0.0 111.933 -177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.6 p -136.36 178.38 7.11 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 126.214 1.805 . . . . 0.0 106.191 170.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -61.04 -49.79 75.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.422 0.289 . . . . 0.0 111.232 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -88.17 4.97 43.64 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -170.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.5 m -52.24 127.26 21.41 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.195 0.598 . . . . 0.0 110.387 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -141.16 161.31 38.18 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.388 0.675 . . . . 0.0 110.01 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -21.94 64.03 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.43 1.092 . . . . 0.0 113.683 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -35.39 76.58 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 124.044 0.938 . . . . 0.0 110.385 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.9 -15.01 58.2 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.714 0.805 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.98 107.96 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.09 -39.97 95.21 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.546 0.739 . . . . 0.0 111.306 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.82 -13.14 58.95 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.768 0.827 . . . . 0.0 112.74 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.66 120.38 21.76 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 123.378 0.671 . . . . 0.0 110.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' H ' ' HB2' ' A' ' 38' ' ' SER . 7.4 m-20 -119.42 -172.2 2.27 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.3 1.44 . . . . 0.0 109.741 173.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.3 m -69.54 -45.41 68.86 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.037 0.935 . . . . 0.0 109.967 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.84 -32.8 74.53 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.866 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HB2' ' H ' ' A' ' 35' ' ' ASP . 19.5 m -68.59 -41.23 79.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.336 0.654 . . . . 0.0 110.27 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -62.52 -39.37 93.32 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.819 0.848 . . . . 0.0 110.46 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.8 mmm -73.12 -30.9 63.97 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.886 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -62.55 -35.3 79.02 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 122.874 0.469 . . . . 0.0 110.136 173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 3.8 mm? -61.99 -57.59 11.11 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.691 0.619 . . . . 0.0 110.487 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.543 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -58.23 -46.08 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 124.332 1.02 . . . . 0.0 111.172 -173.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.1 m -68.77 -29.66 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.1 m -65.14 -40.55 94.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.673 0.389 . . . . 0.0 110.057 170.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 43.3 mt -71.32 -30.61 66.43 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.565 0.346 . . . . 0.0 110.777 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 7.9 mm-40 -62.33 -55.94 23.26 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.946 0.898 . . . . 0.0 110.722 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.48 -41.55 78.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.281 -176.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -68.05 -53.56 24.77 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 0.0 112.161 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' HB3' HD21 ' A' ' 76' ' ' LEU . 90.9 m-85 -93.75 -3.0 52.97 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 122.862 0.465 . . . . 0.0 112.003 -175.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 62.96 24.66 14.67 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.01 1.324 . . . . 0.0 111.328 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' HB ' ' HD3' ' A' ' 75' ' ' LYS . 25.3 pt -97.49 -176.68 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.45 0.7 . . . . 0.0 109.852 -171.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -138.57 112.61 8.54 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.287 0.635 . . . . 0.0 110.154 -173.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.36 136.03 42.91 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 164.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -104.22 169.16 8.65 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.28 -35.6 75.91 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.123 0.569 . . . . 0.0 110.475 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.05 -36.43 93.45 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.51 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 34.2 mt-10 -76.8 -24.34 52.83 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.656 0.782 . . . . 0.0 110.828 177.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 55' ' ' ALA . 1.2 mm? -67.32 -39.79 85.92 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.918 0.887 . . . . 0.0 109.192 172.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.2 -20.08 63.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.017 0.527 . . . . 0.0 111.393 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -76.01 -23.75 55.25 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.744 0.818 . . . . 0.0 111.055 172.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 51.6 mt -84.46 84.27 7.71 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.17 0.588 . . . . 0.0 109.65 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -88.37 -25.28 22.8 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.138 0.975 . . . . 0.0 109.342 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.693 ' HA ' H432 ' A' ' 88' ' ' PNS . 0.1 OUTLIER -153.53 176.49 11.99 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.435 0.694 . . . . 0.0 110.831 172.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' HA ' HD23 ' A' ' 68' ' ' LEU . 57.9 t -69.66 -15.52 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 124.257 1.023 . . . . 0.0 111.594 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.76 -27.52 73.61 Favored Glycine 0 C--N 1.344 0.987 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 168.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -78.47 -30.52 47.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.537 172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.6 mm? -66.43 -35.53 80.53 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 118.73 0.695 . . . . 0.0 109.514 168.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -43.67 98.33 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.72 0.408 . . . . 0.0 109.902 175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 25.5 t70 -63.22 -62.54 1.63 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.416 1.073 . . . . 0.0 110.637 177.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.08 -54.04 49.68 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.419 0.688 . . . . 0.0 111.195 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 69.7 t -57.46 -38.8 65.21 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 123.612 0.57 . . . . 0.0 110.421 -178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.31 -46.87 86.8 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 123.027 0.531 . . . . 0.0 111.546 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 71.2 mmtt -65.37 -34.61 78.71 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.721 -176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HD3' ' HB ' ' A' ' 52' ' ' ILE . 64.9 mttm -77.08 -38.41 52.53 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 123.765 0.826 . . . . 0.0 111.204 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 50' ' ' TYR . 84.8 mt -71.54 -23.6 61.8 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.579 0.549 . . . . 0.0 110.662 176.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -49.07 72.36 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.897 0.748 . . . . 0.0 109.568 168.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 24.7 mmt85 -66.98 -18.47 65.4 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.419 0.687 . . . . 0.0 112.284 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -65.92 -38.39 88.55 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 122.911 0.484 . . . . 0.0 110.829 174.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -103.28 -72.81 0.68 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.561 0.744 . . . . 0.0 109.233 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.42 94.18 6.76 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.34 0.656 . . . . 0.0 110.166 174.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -70.41 79.11 0.55 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.1 m80 67.69 -175.11 0.19 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.343 1.457 . . . . 0.0 111.362 -166.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -130.65 -178.75 4.93 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.349 1.06 . . . . 0.0 109.49 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 m80 58.25 49.91 10.49 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.005 0.922 . . . . 0.0 110.62 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -69.47 92.29 0.61 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.374 -175.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.7 m170 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 123.671 0.789 . . . . 0.0 108.967 -178.332 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.693 H432 ' HA ' ' A' ' 64' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 1.3 mpt? . . . . . 0 CA--C 1.561 1.391 0 CA-C-O 118.677 -0.678 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 20.6 Cg_endo -92.36 47.37 0.46 Allowed 'Trans proline' 0 C--N 1.395 3.008 0 C-N-CA 122.819 2.346 . . . . 0.0 110.855 -174.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 73' ' ' ASP . 53.0 p -63.04 -75.67 0.07 Allowed 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.829 -166.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.15 -30.59 71.71 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.534 0.734 . . . . 0.0 110.707 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -57.66 -56.38 22.62 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.312 1.045 . . . . 0.0 111.138 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.04 -32.79 73.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.701 -177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.87 -32.38 70.71 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.638 0.375 . . . . 0.0 111.554 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.5 m -54.92 -50.28 87.14 Favored Pre-proline 0 CA--C 1.573 1.849 0 CA-C-O 117.895 -1.05 . . . . 0.0 113.179 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -53.9 -41.0 78.46 Favored 'Trans proline' 0 C--N 1.393 2.91 0 C-N-CA 122.786 2.324 . . . . 0.0 113.458 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.11 -53.05 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 123.244 0.618 . . . . 0.0 110.73 -175.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -65.0 -46.9 79.45 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.614 0.765 . . . . 0.0 110.609 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.88 -28.93 70.38 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.863 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -74.3 -58.71 3.12 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.805 0.442 . . . . 0.0 110.37 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' HA ' ' A' ' 42' ' ' LEU . 48.6 t -56.28 -55.84 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 0.0 112.247 -174.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.96 -21.0 40.73 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 122.782 0.433 . . . . 0.0 110.651 -177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.7 t70 61.17 79.99 0.23 Allowed 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.046 1.338 . . . . 0.0 110.51 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -167.58 125.84 1.25 Allowed 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.861 -175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -73.4 -26.56 61.03 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.244 1.018 . . . . 0.0 111.784 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -72.62 -9.57 58.76 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.013 0.525 . . . . 0.0 112.175 -176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.6 mt -66.1 101.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.937 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.6 t -116.91 110.75 32.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 65' ' ' VAL . 90.6 mt -91.08 129.81 37.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.107 0.48 . . . . 0.0 111.9 -169.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.5 p -128.33 169.73 13.9 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.7 mtp-105 -74.61 0.3 15.46 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -119.14 -3.97 10.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.188 0.595 . . . . 0.0 111.403 174.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.2 m -62.42 138.94 58.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.5 p -150.65 -175.29 5.05 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.913 0.885 . . . . 0.0 109.677 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -12.62 59.08 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -76.04 -33.61 59.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.75 -24.59 35.98 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.59 0.756 . . . . 0.0 111.451 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 59.0 mt -116.0 100.07 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.81 -40.17 87.47 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.12 0.968 . . . . 0.0 111.432 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.4 21.37 0.95 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 112.511 -177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -86.18 76.15 9.78 Favored 'General case' 0 CA--C 1.556 1.197 0 O-C-N 121.814 -0.554 . . . . 0.0 109.98 174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.03 161.71 23.76 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.169 0.988 . . . . 0.0 111.673 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.4 m -63.84 -46.6 84.29 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 124.167 0.987 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.3 -29.23 67.04 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.59 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 m -71.19 -35.14 71.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.655 0.782 . . . . 0.0 109.811 174.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -66.88 -41.43 87.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.125 0.97 . . . . 0.0 110.477 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 94.1 mmm -62.98 -40.43 97.71 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 122.81 0.444 . . . . 0.0 110.742 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.87 -35.5 80.19 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.777 0.673 . . . . 0.0 110.699 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -63.56 -49.05 74.93 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.747 0.819 . . . . 0.0 110.207 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.27 -49.6 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 123.516 0.727 . . . . 0.0 110.708 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.84 -24.84 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -70.22 -37.61 75.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.991 0.517 . . . . 0.0 110.809 172.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.32 -36.46 79.33 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 122.861 0.464 . . . . 0.0 110.315 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.18 -59.49 5.23 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.874 0.869 . . . . 0.0 111.505 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.01 -41.48 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -68.86 -58.08 4.66 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.719 0.408 . . . . 0.0 111.209 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -83.24 -15.41 50.44 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -171.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 mttp 58.9 43.92 17.35 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.251 1.02 . . . . 0.0 111.53 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.2 pt -105.76 -171.7 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.744 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -139.14 109.01 6.29 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.84 0.745 . . . . 0.0 111.109 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.426 ' HB3' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -88.34 127.58 35.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -92.44 138.33 31.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 164.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -62.08 -27.0 68.6 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.102 0.561 . . . . 0.0 109.644 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.2 -38.68 93.52 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 116.429 -0.351 . . . . 0.0 112.587 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 40.7 mt-10 -68.63 -35.91 77.93 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.518 0.727 . . . . 0.0 111.166 174.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.667 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -61.49 -37.19 82.75 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.473 0.709 . . . . 0.0 111.581 177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.553 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -63.15 -21.38 66.16 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.896 0.478 . . . . 0.0 111.911 175.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -92.65 -9.5 40.7 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.636 0.774 . . . . 0.0 110.723 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 59' ' ' LEU . 73.3 mt -97.6 110.32 22.91 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.334 0.653 . . . . 0.0 109.284 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -29.24 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.148 0.979 . . . . 0.0 110.692 -175.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.36 177.31 9.79 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD22 ' A' ' 22' ' ' LEU . 47.0 t -64.77 -25.04 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 C-N-CA 124.405 1.082 . . . . 0.0 111.091 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.27 -39.31 96.92 Favored Glycine 0 C--N 1.344 1.005 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 172.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.23 -42.31 93.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.93 0.492 . . . . 0.0 109.939 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.495 HD21 ' S44' ' A' ' 88' ' ' PNS . 4.5 mm? -63.31 -36.9 85.22 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.738 0.415 . . . . 0.0 111.115 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -59.1 -59.02 6.13 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 121.226 0.536 . . . . 0.0 110.12 -177.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 1.8 m-20 -59.62 -49.6 77.14 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.132 -1.395 . . . . 0.0 111.215 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.559 ' HG ' HD21 ' A' ' 62' ' ' LEU . 2.2 tm? -68.27 -48.3 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.196 0.999 . . . . 0.0 112.217 -170.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 76.2 t -57.04 -39.65 67.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 175.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 3' ' ' THR . 27.1 t70 -74.4 -24.42 59.11 Favored 'General case' 0 CA--C 1.555 1.149 0 O-C-N 123.377 0.423 . . . . 0.0 111.65 179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.9 mmtp -69.21 -31.04 69.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HE2' HD11 ' A' ' 71' ' ' LEU . 66.6 mttm -82.27 -22.32 35.8 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.21 175.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 95.0 mt -75.22 -27.89 59.73 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 169.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -70.62 -29.23 65.56 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.039 170.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 31.3 mmt180 -72.91 -26.39 61.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.225 0.61 . . . . 0.0 110.9 170.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.1 mmmp? -70.76 -10.15 58.87 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 177.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 77' ' ' ALA . 4.3 mm? -63.88 137.25 57.95 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 163.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.8 143.85 35.35 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 123.855 0.722 . . . . 0.0 111.289 -168.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -58.29 -32.81 68.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.555 1.142 . . . . 0.0 111.413 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -167.02 -27.84 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 123.947 0.78 . . . . 0.0 112.002 173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.2 t60 71.19 -73.78 0.09 Allowed 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.262 1.425 . . . . 0.0 110.671 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -80.79 122.61 27.38 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -68.67 141.04 55.46 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.96 0.904 . . . . 0.0 111.548 -177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 44.1 m80 . . . . . 0 C--O 1.256 1.41 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 170.738 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.495 ' S44' HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -85.31 28.28 0.57 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.097 2.531 . . . . 0.0 112.083 -177.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 p -73.05 -76.54 0.12 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.082 0.953 . . . . 0.0 111.161 -166.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.03 -37.64 85.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.481 0.713 . . . . 0.0 110.416 -178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -54.05 -49.49 68.85 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.336 1.055 . . . . 0.0 111.731 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.4 -31.04 37.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.328 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 72' ' ' VAL . 83.9 mt -71.51 -32.99 68.83 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.722 0.409 . . . . 0.0 111.491 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 87.1 m -54.71 -51.51 78.2 Favored Pre-proline 0 CA--C 1.568 1.658 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.981 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 38.4 Cg_exo -60.94 -26.76 83.71 Favored 'Trans proline' 0 C--N 1.392 2.816 0 C-N-CA 122.329 2.02 . . . . 0.0 113.879 174.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.0 mm -65.79 -53.55 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -67.22 -44.89 78.42 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.16 0.584 . . . . 0.0 110.301 -176.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 mtt85 -55.01 -38.96 68.58 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.447 0.699 . . . . 0.0 111.85 175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -72.32 -58.7 3.19 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 111.293 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.524 HG11 HD22 ' A' ' 42' ' ' LEU . 98.3 t -61.14 -45.74 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 C-N-CA 124.159 0.983 . . . . 0.0 112.352 -172.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.403 ' CE2' HD21 ' A' ' 42' ' ' LEU . 89.7 m-85 -80.31 -23.29 40.76 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 119.668 -0.206 . . . . 0.0 111.288 177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 t70 59.66 70.58 0.63 Allowed 'General case' 0 CA--C 1.548 0.896 0 O-C-N 124.303 1.002 . . . . 0.0 109.054 -173.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -161.54 117.5 2.11 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.013 -176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.91 -20.14 59.84 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.382 1.073 . . . . 0.0 112.346 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m -75.93 -7.01 53.57 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.076 -0.39 . . . . 0.0 112.049 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.07 106.7 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.06 0.544 . . . . 0.0 110.11 175.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.46 103.82 14.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 174.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.96 130.84 45.69 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.467 0.707 . . . . 0.0 112.435 -171.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -119.35 170.42 9.14 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 106.645 -1.613 . . . . 0.0 106.645 169.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -66.34 -21.16 66.24 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.406 174.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -101.61 -2.74 29.74 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.37 0.668 . . . . 0.0 112.441 -177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 65' ' ' VAL . 98.5 m -60.79 120.6 10.42 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.496 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 89.7 p -136.84 175.46 9.6 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.759 0.823 . . . . 0.0 110.409 -175.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.19 64.21 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.862 0.865 . . . . 0.0 112.106 172.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -73.35 -35.65 66.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.385 1.074 . . . . 0.0 111.196 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HB3' ' H ' ' A' ' 27' ' ' SER . 38.9 t70 -74.73 -20.44 59.83 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.64 1.176 . . . . 0.0 113.322 -169.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HE3' ' A' ' 34' ' ' TRP . 52.9 mt -120.16 121.5 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -69.14 -34.95 75.81 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.935 0.894 . . . . 0.0 111.428 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.09 9.73 5.2 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.402 ' HE3' ' HB ' ' A' ' 31' ' ' ILE . 2.6 t90 -96.4 121.51 38.28 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.3 166.41 14.71 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 124.587 1.155 . . . . 0.0 108.643 173.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -63.83 -31.5 72.7 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.16 0.584 . . . . 0.0 110.066 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.55 -42.66 92.87 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.556 171.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.5 m -63.95 -37.8 88.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.63 0.772 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' SER . 85.4 m-70 -56.37 -44.39 80.12 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.839 0.712 . . . . 0.0 112.014 175.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.2 mmm -61.39 -29.99 70.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.525 0.202 . . . . 0.0 111.54 -178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -74.03 -33.59 63.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.275 0.63 . . . . 0.0 110.886 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.524 HD22 HG11 ' A' ' 14' ' ' VAL . 3.8 mm? -60.76 -56.48 20.69 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 123.221 0.608 . . . . 0.0 109.874 174.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -54.02 -56.66 8.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 124.708 1.255 . . . . 0.0 110.065 -175.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.1 -32.79 51.21 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -69.37 -39.8 77.83 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.914 0.485 . . . . 0.0 111.102 174.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 42' ' ' LEU . 83.5 mt -68.02 -36.54 80.11 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.9 mm-40 -70.38 -38.21 74.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.035 0.934 . . . . 0.0 112.02 -176.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.2 m -84.9 -47.07 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.067 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -66.24 -44.54 83.48 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 122.85 0.46 . . . . 0.0 111.53 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -93.19 -5.74 49.36 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 118.921 -0.562 . . . . 0.0 111.263 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' GLU 0.288 0.0 OUTLIER 43.08 41.7 2.89 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 125.371 1.469 . . . . 0.0 112.754 -174.734 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.734 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . 24.1 pt -104.27 -173.97 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.074 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -144.14 106.46 4.39 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.549 0.339 . . . . 0.0 110.235 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -88.03 155.74 19.66 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.886 0.874 . . . . 0.0 108.712 164.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.35 148.0 33.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 165.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.33 -26.8 68.93 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.455 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -58.42 -44.03 95.49 Favored Glycine 0 C--N 1.351 1.37 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 170.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.15 93.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.501 0.72 . . . . 0.0 110.301 174.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 HD12 ' A' ' 62' ' ' LEU . 4.3 mm? -57.77 -42.52 84.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.385 0.674 . . . . 0.0 111.368 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -67.42 -24.35 65.64 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.843 0.457 . . . . 0.0 111.356 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 39.0 mmtm -81.83 -12.81 58.33 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.211 0.605 . . . . 0.0 111.227 176.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 67' ' ' ASP . 16.1 mt -84.13 144.63 28.89 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 175.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -118.49 -34.49 4.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.474 0.709 . . . . 0.0 110.033 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.44 177.95 10.06 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.774 0.83 . . . . 0.0 111.18 -172.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 26' ' ' THR . 97.9 t -72.62 -10.13 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 124.22 1.008 . . . . 0.0 111.162 -176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.07 -33.45 87.14 Favored Glycine 0 C--N 1.345 1.079 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.635 ' HB3' HD22 ' A' ' 62' ' ' LEU . 17.3 m-20 -73.57 -37.68 65.43 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.452 0.701 . . . . 0.0 110.65 174.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' VAL . 3.8 mm? -63.64 -40.24 96.37 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 117.721 0.237 . . . . 0.0 110.432 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.4 88.83 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.871 0.469 . . . . 0.0 109.827 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.2 t70 -64.58 -59.07 4.72 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.484 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD12 ' HE2' ' A' ' 75' ' ' LYS . 4.1 mm? -63.41 -50.68 68.88 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.325 0.65 . . . . 0.0 111.606 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 7' ' ' LEU . 93.7 t -55.82 -44.31 77.16 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 O-C-N 123.759 0.662 . . . . 0.0 110.41 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.02 -45.34 90.95 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-O 121.329 0.585 . . . . 0.0 111.776 178.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 74.2 mmtt -69.23 -39.43 78.54 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.017 -176.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.525 ' HE2' HD12 ' A' ' 71' ' ' LEU . 68.5 mttm -73.97 -38.35 64.21 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.442 0.697 . . . . 0.0 110.612 -177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 80.5 mt -61.17 -41.73 97.3 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.01 77.42 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.505 0.722 . . . . 0.0 111.466 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 30.7 mmt180 -69.96 -31.64 69.46 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.148 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.734 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 74.6 mmtt -85.01 -18.5 34.25 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.825 0.85 . . . . 0.0 111.694 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -76.17 -2.25 30.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.1 0.56 . . . . 0.0 110.703 174.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.75 157.18 24.97 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.819 0.848 . . . . 0.0 108.951 170.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -62.29 179.84 0.28 Allowed 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.392 1.077 . . . . 0.0 112.164 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 77.42 139.12 0.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.573 1.549 . . . . 0.0 111.923 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 63.2 82.78 0.17 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.38 1.472 . . . . 0.0 112.195 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -94.9 143.31 26.57 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.478 0.711 . . . . 0.0 110.474 177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -81.07 123.41 28.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.496 0.718 . . . . 0.0 109.262 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.1 p80 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 123.404 0.682 . . . . 0.0 110.514 178.568 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.577 H303 ' H36' ' A' ' 88' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 CA--C 1.56 1.353 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -93.51 3.09 3.26 Favored 'Trans proline' 0 C--N 1.393 2.918 0 C-N-CA 121.95 1.766 . . . . 0.0 114.371 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 p -70.47 -68.31 0.44 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 118.081 -0.961 . . . . 0.0 112.77 -172.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -54.26 -36.33 63.48 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 118.78 0.718 . . . . 0.0 111.929 -172.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.68 -50.71 65.24 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.337 1.055 . . . . 0.0 111.67 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.42 -23.84 34.66 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.873 0.869 . . . . 0.0 111.576 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.3 mt -79.29 -34.11 42.72 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.265 0.626 . . . . 0.0 110.896 -176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.2 m -55.11 -47.44 98.5 Favored Pre-proline 0 CA--C 1.572 1.799 0 CA-C-O 118.215 -0.898 . . . . 0.0 112.514 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -51.26 -41.74 57.14 Favored 'Trans proline' 0 C--N 1.393 2.869 0 C-N-CA 122.8 2.333 . . . . 0.0 113.516 169.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 HG21 HD23 ' A' ' 46' ' ' LEU . 34.8 mm -65.5 -51.02 68.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 123.055 0.542 . . . . 0.0 110.038 -175.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -63.47 -39.13 93.65 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.789 0.681 . . . . 0.0 110.829 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.49 ' NH2' HG22 ' A' ' 21' ' ' VAL . 90.2 mtt180 -60.19 -42.49 95.18 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.189 0.196 . . . . 0.0 111.247 177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -74.81 -47.31 31.34 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.275 0.23 . . . . 0.0 111.545 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -53.59 -54.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 C-N-CA 124.187 0.995 . . . . 0.0 111.325 177.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -82.91 -3.96 57.6 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.504 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.06 8.38 6.47 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 124.76 1.224 . . . . 0.0 111.146 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -95.04 165.73 12.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.582 1.153 . . . . 0.0 111.054 -168.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -112.11 -40.93 4.07 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.504 1.121 . . . . 0.0 110.065 -175.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 m -80.83 -5.69 57.6 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.949 0.9 . . . . 0.0 112.771 -166.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.8 mt -66.61 108.73 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 122.696 0.399 . . . . 0.0 110.205 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.49 HG22 ' NH2' ' A' ' 12' ' ' ARG . 43.0 t -127.87 98.88 4.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 172.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 HD13 HG11 ' A' ' 65' ' ' VAL . 98.3 mt -59.18 145.14 43.7 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -165.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.3 p -137.17 169.38 17.87 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.615 -1.175 . . . . 0.0 107.915 168.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.91 -37.45 76.68 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.358 0.663 . . . . 0.0 112.496 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -95.54 0.89 53.53 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -170.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 65' ' ' VAL . 22.6 m -61.62 93.68 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.916 0.486 . . . . 0.0 111.254 174.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -92.44 170.45 9.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.225 0.61 . . . . 0.0 110.114 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' H ' H422 ' A' ' 88' ' ' PNS . . . -67.34 -11.86 58.73 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.713 0.405 . . . . 0.0 111.859 169.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.31 -23.4 40.69 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.75 0.82 . . . . 0.0 110.636 172.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.73 -17.89 34.62 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.633 0.773 . . . . 0.0 112.283 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.06 116.24 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -74.04 -30.26 62.33 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.406 0.282 . . . . 0.0 111.091 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.33 -26.25 67.96 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.63 0.772 . . . . 0.0 111.199 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -75.93 114.76 14.93 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -132.92 175.51 9.29 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.313 1.445 . . . . 0.0 107.993 173.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -50.71 -38.7 48.69 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 123.839 0.855 . . . . 0.0 111.563 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.16 -40.6 90.65 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.142 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.0 m -70.92 -30.28 66.56 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.461 0.704 . . . . 0.0 111.25 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' NE2' H312 ' A' ' 88' ' ' PNS . 85.4 m-70 -60.12 -45.41 93.08 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.257 0.623 . . . . 0.0 110.744 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.9 mmm -60.47 -45.62 93.07 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.698 0.624 . . . . 0.0 110.568 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.45 -44.8 96.47 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.816 0.846 . . . . 0.0 111.293 177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.94 -45.76 80.64 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.657 0.783 . . . . 0.0 110.826 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.6 mp -68.8 -45.53 80.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.531 -175.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.93 -28.41 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 118.29 0.495 . . . . 0.0 111.461 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.4 -43.43 94.45 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 123.59 0.556 . . . . 0.0 110.936 170.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.44 HD23 HG21 ' A' ' 10' ' ' ILE . 59.0 mt -68.54 -33.73 74.62 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 122.401 -0.187 . . . . 0.0 110.707 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 56.1 mm-40 -57.59 -56.57 20.22 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.187 0.995 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.12 -40.85 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -175.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -67.22 -51.74 49.54 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.585 0.354 . . . . 0.0 111.699 -177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -93.98 -2.74 52.67 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.075 0.55 . . . . 0.0 112.139 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt 65.44 25.26 11.93 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.759 1.224 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.0 pt -102.78 178.64 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.222 0.609 . . . . 0.0 110.771 -168.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -147.68 116.08 6.62 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -95.37 147.89 23.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.108 0.963 . . . . 0.0 109.125 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.99 158.19 15.56 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 167.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.98 -32.49 72.05 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.48 -35.52 89.08 Favored Glycine 0 C--N 1.352 1.419 0 CA-C-N 115.949 -0.568 . . . . 0.0 113.168 171.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -71.89 -33.8 68.65 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.759 0.424 . . . . 0.0 110.764 175.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.45 -31.07 70.98 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.149 0.58 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -58.88 -34.93 72.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.41 0.684 . . . . 0.0 111.274 170.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -87.63 3.69 46.76 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.034 0.534 . . . . 0.0 112.085 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -99.28 98.03 9.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -90.81 -29.61 17.48 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.919 0.888 . . . . 0.0 109.256 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.93 178.55 10.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.272 0.629 . . . . 0.0 111.146 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 22' ' ' LEU . 25.7 t -68.52 -16.66 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 123.627 0.771 . . . . 0.0 111.504 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.99 -31.31 72.35 Favored Glycine 0 C--N 1.343 0.924 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 27.1 m-20 -68.38 -38.43 81.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.17 -30.21 70.64 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.047 0.539 . . . . 0.0 111.24 173.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -52.24 65.14 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 6.7 m-20 -70.03 -38.47 75.88 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.87 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.03 -53.6 19.61 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 123.383 0.673 . . . . 0.0 109.924 -173.086 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 47.5 t -65.61 -28.43 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.101 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -36.2 83.36 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 122.937 0.495 . . . . 0.0 110.961 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 31.6 mmmt -60.18 -44.29 95.17 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 74.9 mmtt -71.74 -36.56 70.48 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.169 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 68.8 mt -70.14 -36.49 74.81 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.28 0.632 . . . . 0.0 110.09 -179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.43 -35.39 72.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.825 171.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.53 -33.14 62.69 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.627 0.371 . . . . 0.0 110.992 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.3 mmtt -79.33 -4.77 52.43 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.636 0.774 . . . . 0.0 112.23 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -22.78 63.23 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.379 0.672 . . . . 0.0 111.238 171.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -75.95 -9.04 58.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.627 0.771 . . . . 0.0 111.823 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -109.02 -175.88 2.89 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.712 1.205 . . . . 0.0 109.456 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -155.29 -154.82 0.52 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.408 1.083 . . . . 0.0 108.369 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 79.9 t60 73.3 103.1 0.07 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.629 1.171 . . . . 0.0 110.551 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -130.58 174.26 10.08 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.331 1.052 . . . . 0.0 110.442 -173.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -153.74 -16.79 0.14 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.514 0.725 . . . . 0.0 111.126 176.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 . . . . . 0 C--O 1.252 1.235 0 C-N-CA 123.568 0.747 . . . . 0.0 109.259 -174.721 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.623 H313 ' H36' ' A' ' 88' ' ' PNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.9 mtp . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 118.28 -0.866 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -92.12 26.22 0.43 Allowed 'Trans proline' 0 C--N 1.389 2.699 0 C-N-CA 122.299 2.0 . . . . 0.0 113.18 -171.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.562 HG21 ' HB2' ' A' ' 73' ' ' ASP . 46.2 p -73.72 -65.02 0.88 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 118.117 -0.944 . . . . 0.0 111.826 -171.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -53.07 -40.0 63.72 Favored 'General case' 0 N--CA 1.497 1.913 0 C-N-CA 123.292 0.637 . . . . 0.0 110.766 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -57.37 -47.41 81.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.61 1.164 . . . . 0.0 111.706 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.59 -26.73 55.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.249 0.62 . . . . 0.0 111.928 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.493 HD21 HG21 ' A' ' 72' ' ' VAL . 85.7 mt -79.58 -32.88 42.07 Favored 'General case' 0 C--O 1.217 -0.625 0 C-N-CA 123.099 0.559 . . . . 0.0 110.593 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -56.62 -47.29 99.25 Favored Pre-proline 0 CA--C 1.57 1.733 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.985 -175.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.03 -32.49 93.31 Favored 'Trans proline' 0 C--N 1.392 2.867 0 C-N-CA 122.778 2.319 . . . . 0.0 113.766 171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm -66.91 -43.87 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 123.035 0.534 . . . . 0.0 109.93 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.36 -42.56 75.08 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.475 0.71 . . . . 0.0 110.373 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.78 -23.93 67.56 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.006 0.522 . . . . 0.0 111.803 176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -80.25 -59.84 2.55 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.25 0.62 . . . . 0.0 110.391 174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.6 -54.52 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 125.067 1.347 . . . . 0.0 112.23 -175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -83.37 -23.29 32.5 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.256 0.622 . . . . 0.0 110.8 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.5 t70 61.21 80.21 0.23 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.414 1.071 . . . . 0.0 110.394 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -163.89 115.03 1.34 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.888 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -60.88 -29.71 69.71 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.732 1.213 . . . . 0.0 112.494 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -78.31 -18.56 55.06 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.986 -0.531 . . . . 0.0 111.981 -168.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.51 114.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 C-N-CA 122.868 0.467 . . . . 0.0 110.39 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.1 t -127.82 107.58 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 174.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 HD13 HG11 ' A' ' 65' ' ' VAL . 89.1 mt -73.59 141.29 46.62 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -170.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.4 p -131.81 174.69 9.89 Favored 'General case' 0 C--O 1.245 0.841 0 C-N-CA 125.403 1.481 . . . . 0.0 107.053 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -66.98 -28.25 68.11 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 122.879 0.472 . . . . 0.0 111.592 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -96.8 -8.78 30.24 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 122.993 0.517 . . . . 0.0 111.66 -174.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.2 m -58.77 139.86 55.7 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.6 p -158.47 -179.48 8.13 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.724 0.81 . . . . 0.0 109.373 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.675 ' H ' H422 ' A' ' 88' ' ' PNS . . . -76.9 -7.7 56.0 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 122.813 0.445 . . . . 0.0 111.567 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.58 HD21 H371 ' A' ' 88' ' ' PNS . 14.0 m120 -81.91 -31.09 31.56 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 172.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -91.87 -17.74 24.81 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 124.982 1.313 . . . . 0.0 111.463 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 54.2 mt -118.85 100.79 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.78 -31.46 72.43 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.878 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.46 8.43 4.26 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -111.35 131.01 55.5 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.671 0.789 . . . . 0.0 110.233 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -126.15 171.27 11.01 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.738 1.215 . . . . 0.0 109.862 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.522 ' H ' ' P24' ' A' ' 88' ' ' PNS . 25.7 p -73.7 -17.32 61.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.4 0.68 . . . . 0.0 111.71 170.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.34 -41.72 84.76 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 165.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.0 m -73.38 -25.57 60.62 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.864 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' CE1' H421 ' A' ' 88' ' ' PNS . 8.0 m-70 -57.21 -41.63 79.79 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.136 0.574 . . . . 0.0 110.805 171.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.6 mmt -60.82 -49.03 79.11 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.545 0.528 . . . . 0.0 110.674 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.85 -46.7 88.45 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 124.375 1.047 . . . . 0.0 110.947 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.2 -52.4 59.07 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.374 1.07 . . . . 0.0 110.941 -174.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -62.08 -46.45 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.444 0.698 . . . . 0.0 110.794 -175.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -65.36 -27.6 42.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.097 0.408 . . . . 0.0 112.062 -178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.0 m -62.49 -42.23 99.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.918 0.487 . . . . 0.0 110.382 170.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.411 HD22 ' HE2' ' A' ' 50' ' ' TYR . 50.5 mt -71.06 -33.95 70.74 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.752 0.421 . . . . 0.0 111.484 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.5 mm-40 -61.02 -51.69 68.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.777 0.831 . . . . 0.0 110.529 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -71.76 -37.1 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -67.24 -57.19 7.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.279 0.632 . . . . 0.0 112.306 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.411 ' HE2' HD22 ' A' ' 46' ' ' LEU . 62.2 m-85 -92.3 -2.69 56.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.472 -173.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 61.8 33.41 17.76 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.116 0.966 . . . . 0.0 110.926 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 75' ' ' LYS . 29.0 pt -107.19 176.21 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.768 0.827 . . . . 0.0 110.386 -172.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -140.92 105.8 4.95 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -82.3 133.88 35.25 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 169.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.07 152.35 18.84 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 1.8 tm? -57.86 -29.33 64.92 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.313 0.645 . . . . 0.0 110.587 177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -38.11 95.5 Favored Glycine 0 C--N 1.354 1.569 0 O-C-N 123.189 0.306 . . . . 0.0 112.963 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.71 -25.79 53.96 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.762 0.825 . . . . 0.0 110.756 176.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.594 HD13 HD12 ' A' ' 62' ' ' LEU . 3.1 mm? -68.37 -37.08 80.11 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.023 0.929 . . . . 0.0 110.375 172.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 12.9 mm-40 -61.6 -18.0 57.52 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.162 0.585 . . . . 0.0 112.318 171.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -95.46 -0.03 52.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.404 0.682 . . . . 0.0 112.453 177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD12 HD13 ' A' ' 59' ' ' LEU . 70.8 mt -98.11 93.45 6.28 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 118.295 0.498 . . . . 0.0 109.993 -177.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -102.63 -30.89 10.66 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.687 0.795 . . . . 0.0 109.351 177.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -134.64 170.73 15.37 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.23 0.612 . . . . 0.0 109.479 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.479 HG11 HD13 ' A' ' 22' ' ' LEU . 21.9 t -66.96 -20.58 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.808 0.843 . . . . 0.0 110.098 170.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.65 -42.33 87.92 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.93 -42.51 99.19 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.25 0.62 . . . . 0.0 110.33 172.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.6 tp -68.59 -29.47 68.01 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.15 -39.87 75.08 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.363 0.665 . . . . 0.0 109.929 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 71.8 m-20 -64.45 -45.98 85.08 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.828 173.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -64.06 -49.63 71.57 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 124.061 0.85 . . . . 0.0 110.375 -173.602 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.493 HG21 HD21 ' A' ' 7' ' ' LEU . 71.0 t -59.62 -40.44 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.785 0.834 . . . . 0.0 110.298 175.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.562 ' HB2' HG21 ' A' ' 3' ' ' THR . 15.5 t70 -64.67 -35.37 80.8 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.173 0.589 . . . . 0.0 110.98 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.6 mmmt -67.15 -37.26 83.49 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.25 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 75.2 mmtt -70.61 -38.03 73.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.518 177.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 78.7 mt -74.27 -22.29 59.37 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.74 0.816 . . . . 0.0 110.505 178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.85 83.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.286 0.634 . . . . 0.0 109.701 169.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 21.2 mmt180 -68.47 -34.07 75.29 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.873 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.507 ' HB3' ' HG2' ' A' ' 81' ' ' GLU . 37.0 mmtm -73.73 -64.69 0.95 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.38 0.672 . . . . 0.0 110.176 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 65.7 -61.7 0.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.606 1.962 . . . . 0.0 110.317 -171.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.507 ' HG2' ' HB3' ' A' ' 79' ' ' LYS . 59.0 mm-40 75.06 -179.47 0.18 Allowed 'General case' 0 C--O 1.244 0.79 0 C-N-CA 125.379 1.472 . . . . 0.0 112.464 171.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -80.17 84.51 5.85 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.87 -170.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -78.07 -37.1 47.4 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -115.43 169.79 8.89 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.334 1.454 . . . . 0.0 108.881 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -67.89 165.05 18.44 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.066 0.546 . . . . 0.0 112.29 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -80.24 172.06 14.26 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.815 0.846 . . . . 0.0 111.481 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 . . . . . 0 CA--C 1.562 1.409 0 C-N-CA 125.954 1.702 . . . . 0.0 112.868 -176.023 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.675 H422 ' H ' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 mmm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -96.87 33.61 0.13 Allowed 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 123.662 2.908 . . . . 0.0 111.021 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -65.68 -61.44 2.08 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 -170.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 69' ' ' ALA . 83.8 mt -56.1 -37.3 69.2 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.398 1.061 . . . . 0.0 110.683 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.72 -46.59 89.83 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.04 0.936 . . . . 0.0 111.595 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -31.55 67.93 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.688 0.795 . . . . 0.0 111.325 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 3' ' ' THR . 88.4 mt -77.89 -30.02 50.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.575 0.75 . . . . 0.0 111.383 -177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -54.51 -47.59 97.35 Favored Pre-proline 0 N--CA 1.493 1.696 0 CA-C-O 118.058 -0.972 . . . . 0.0 113.463 -172.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.86 -31.62 91.83 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.162 1.908 . . . . 0.0 113.232 174.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG21 HD23 ' A' ' 46' ' ' LEU . 28.4 mm -67.57 -44.67 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 122.939 0.495 . . . . 0.0 109.816 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' A' ' 7' ' ' LEU . 6.1 m-85 -69.16 -38.58 78.83 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.247 0.619 . . . . 0.0 110.67 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.9 -23.42 64.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.867 0.467 . . . . 0.0 111.828 177.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -77.3 -58.17 3.42 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.399 0.679 . . . . 0.0 110.442 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 42' ' ' LEU . 65.4 t -60.06 -52.41 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.507 1.123 . . . . 0.0 111.941 -176.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -82.82 -11.15 58.48 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.42 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.0 t70 59.47 80.63 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.179 0.991 . . . . 0.0 110.344 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -164.76 173.98 11.2 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.44 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -133.5 -27.51 1.53 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.785 0.834 . . . . 0.0 110.867 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.8 m -82.79 -16.01 49.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.664 0.786 . . . . 0.0 112.042 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.0 mt -67.05 106.2 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.74 111.1 34.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.426 HD13 HG11 ' A' ' 65' ' ' VAL . 57.1 mt -64.31 130.38 43.59 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.199 0.312 . . . . 0.0 111.585 -169.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.4 p -125.48 167.42 15.04 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -66.48 -15.32 63.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.36 0.664 . . . . 0.0 112.234 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -110.01 -4.38 15.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.919 0.887 . . . . 0.0 112.331 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 96.1 m -58.67 134.03 56.43 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 122.581 0.352 . . . . 0.0 110.501 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.434 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 51.4 p -167.17 -170.72 1.57 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.602 0.761 . . . . 0.0 109.611 -173.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' HB3' ' O35' ' A' ' 88' ' ' PNS . . . -77.06 4.58 9.84 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 168.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -96.13 -39.71 9.57 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HB3' ' H ' ' A' ' 27' ' ' SER . 32.5 t70 -74.08 -33.8 63.78 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.183 172.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.4 mt -121.15 102.3 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -173.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -63.82 -25.96 68.41 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.452 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.96 -4.58 57.0 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 2.1 t90 -80.56 85.31 5.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.263 0.625 . . . . 0.0 110.211 -177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.31 161.15 28.98 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.804 168.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -69.38 -23.43 63.74 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.832 0.707 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -48.12 81.99 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.204 0.601 . . . . 0.0 109.538 171.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.0 m -73.86 -30.04 62.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 114.748 -1.114 . . . . 0.0 110.423 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.495 ' HE1' ' S44' ' A' ' 88' ' ' PNS . 65.4 t60 -62.62 -48.32 79.92 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.125 1.37 . . . . 0.0 110.587 174.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.5 mmm -67.32 -40.17 85.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.62 0.368 . . . . 0.0 110.43 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -57.99 -37.5 74.36 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.107 0.88 . . . . 0.0 110.766 174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 11' ' ' PHE . 3.2 tm? -66.81 -52.59 42.11 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.413 0.685 . . . . 0.0 110.738 179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.634 HG12 HD22 ' A' ' 59' ' ' LEU . 1.7 mp -61.22 -44.71 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.29 0.636 . . . . 0.0 111.043 -175.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.21 -28.7 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 123.048 0.218 . . . . 0.0 111.57 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -63.79 -41.0 98.02 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.826 0.45 . . . . 0.0 110.757 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 10' ' ' ILE . 61.6 mt -64.61 -40.26 95.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.56 -54.05 45.62 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.706 0.802 . . . . 0.0 111.802 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.88 -38.46 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.48 -56.14 12.31 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.297 0.639 . . . . 0.0 111.841 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 76' ' ' LEU . 97.4 m-85 -87.89 -0.58 57.16 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 63.02 33.78 14.48 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 124.505 1.122 . . . . 0.0 110.336 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 20.7 pt -110.24 -175.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.97 0.908 . . . . 0.0 109.69 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.41 122.16 5.86 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.236 0.214 . . . . 0.0 110.432 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.597 ' HE1' ' HB3' ' A' ' 71' ' ' LEU . 82.6 m-85 -105.23 142.45 34.98 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.156 0.982 . . . . 0.0 108.534 171.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.79 152.51 20.41 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.582 0.753 . . . . 0.0 109.195 175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -54.32 -35.33 62.57 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.375 1.07 . . . . 0.0 112.545 -175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.17 -43.39 99.47 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.321 0.388 . . . . 0.0 112.462 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -67.05 -30.26 70.28 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.544 0.738 . . . . 0.0 110.949 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 43' ' ' ILE . 29.9 mt -67.84 -37.93 82.53 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.966 0.506 . . . . 0.0 110.48 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -69.78 -8.53 48.93 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.256 0.622 . . . . 0.0 112.097 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -97.6 -9.88 26.14 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.388 0.675 . . . . 0.0 110.684 174.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD21 ' HG ' ' A' ' 71' ' ' LEU . 88.5 mt -82.28 85.94 6.76 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.548 ' HA ' H381 ' A' ' 88' ' ' PNS . 57.6 tttm -80.85 -32.49 35.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 121.09 0.472 . . . . 0.0 110.459 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -141.41 173.51 11.43 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.323 1.049 . . . . 0.0 109.509 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 22' ' ' LEU . 31.4 t -74.16 -12.33 15.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 124.032 0.933 . . . . 0.0 110.522 174.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.07 91.25 Favored Glycine 0 C--N 1.348 1.242 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 168.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.9 -38.19 88.08 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.217 0.607 . . . . 0.0 110.384 172.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.74 -33.83 76.78 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 122.604 0.362 . . . . 0.0 111.243 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -59.07 -51.81 68.45 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 4.3 m-20 -62.82 -51.8 65.62 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.639 176.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.597 ' HB3' ' HE1' ' A' ' 54' ' ' PHE . 1.4 mm? -61.04 -53.78 52.94 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.848 0.859 . . . . 0.0 111.332 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 96.9 t -57.22 -40.68 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.014 0.526 . . . . 0.0 110.444 177.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -60.52 -37.95 82.82 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 122.891 0.476 . . . . 0.0 111.763 176.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 73.0 mmtt -69.45 -39.07 78.0 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.378 0.424 . . . . 0.0 110.284 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 74.3 mmtt -70.72 -38.2 73.59 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.248 0.619 . . . . 0.0 110.631 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 57.3 mt -75.84 -26.32 57.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.415 0.686 . . . . 0.0 110.805 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.74 87.1 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.841 0.457 . . . . 0.0 109.855 171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.5 mmm180 -69.45 -28.0 65.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.19 0.596 . . . . 0.0 110.681 173.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -69.5 -4.48 19.04 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.958 0.903 . . . . 0.0 113.149 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.36 60.31 0.44 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 121.756 0.788 . . . . 0.0 109.554 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -158.9 142.19 14.78 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 -170.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -59.33 -65.39 0.68 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.806 0.843 . . . . 0.0 111.391 -175.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -171.97 -58.97 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.7 m80 57.12 -76.56 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.546 1.138 . . . . 0.0 111.123 -161.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -78.26 78.48 4.73 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.308 0.643 . . . . 0.0 111.314 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -153.32 63.21 0.75 Allowed 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.465 1.106 . . . . 0.0 108.125 168.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.7 p80 . . . . . 0 C--O 1.247 0.929 0 C-N-CA 124.978 1.311 . . . . 0.0 108.335 175.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.548 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.0 mtm . . . . . 0 CA--C 1.558 1.286 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -90.62 26.35 0.49 Allowed 'Trans proline' 0 C--N 1.394 2.932 0 C-N-CA 122.232 1.954 . . . . 0.0 112.666 -174.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 17.0 m -74.63 -51.9 13.17 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.158 -166.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 69' ' ' ALA . 85.0 mt -57.72 -42.2 83.3 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 122.688 0.395 . . . . 0.0 110.346 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -55.01 -50.39 69.14 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.058 175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.29 89.26 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.8 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 46' ' ' LEU . 72.6 mt -75.0 -27.07 60.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.175 0.59 . . . . 0.0 111.416 -175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.457 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 95.8 m -56.07 -50.98 84.24 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.698 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.1 Cg_exo -59.5 -28.86 88.56 Favored 'Trans proline' 0 C--N 1.394 2.923 0 C-N-CA 122.411 2.074 . . . . 0.0 113.723 172.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.59 HG21 HD23 ' A' ' 46' ' ' LEU . 14.3 mm -71.02 -42.66 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -65.56 -47.01 77.31 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.322 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.53 -20.88 65.99 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.36 0.664 . . . . 0.0 112.131 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -72.5 -59.42 2.73 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.322 0.649 . . . . 0.0 110.291 170.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 42' ' ' LEU . 76.2 t -58.12 -54.31 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.597 1.159 . . . . 0.0 112.04 -173.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -84.98 -23.04 28.9 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.985 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 59.16 82.96 0.14 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.77 1.228 . . . . 0.0 110.347 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -161.64 166.73 26.38 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 -171.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -117.75 -24.49 7.17 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.734 0.813 . . . . 0.0 110.192 -175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 m -80.38 -8.55 59.56 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.914 0.886 . . . . 0.0 111.455 -174.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.89 99.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.33 96.91 4.13 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 65' ' ' VAL . 92.7 mt -66.24 136.63 56.14 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.944 -167.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.1 p -134.32 172.76 12.43 Favored 'General case' 0 C--O 1.245 0.843 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -62.54 -41.77 99.1 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -90.86 0.5 57.47 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 65' ' ' VAL . 91.6 m -58.08 98.91 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.416 0.686 . . . . 0.0 112.069 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.8 p -95.09 172.64 8.01 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.369 0.604 . . . . 0.0 110.883 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.76 -22.69 62.46 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.263 166.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -78.81 -31.08 45.73 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 123.526 0.73 . . . . 0.0 110.197 175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.37 -30.29 67.17 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.995 0.918 . . . . 0.0 111.166 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mt -117.5 107.4 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.06 -36.96 78.47 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.252 0.621 . . . . 0.0 110.694 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.53 -16.95 64.19 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.069 0.948 . . . . 0.0 112.916 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -91.39 63.52 4.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.332 0.653 . . . . 0.0 110.424 -176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.48 163.51 27.89 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.742 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 m -46.29 -40.7 12.09 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.66 1.184 . . . . 0.0 112.407 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 37' ' ' LEU . 2.3 mm? -64.42 -44.8 90.06 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.004 -1.453 . . . . 0.0 109.789 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 m -69.78 -28.66 65.93 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.652 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HE1' H421 ' A' ' 88' ' ' PNS . 68.9 m-70 -59.49 -46.58 88.4 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.45 0.7 . . . . 0.0 110.551 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.1 mmm -58.31 -45.73 87.47 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.622 0.576 . . . . 0.0 110.886 -177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -67.43 -38.85 85.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.411 0.684 . . . . 0.0 111.427 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.0 tm? -64.03 -50.75 67.24 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.682 0.793 . . . . 0.0 110.968 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.473 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.7 mp -65.23 -45.74 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.905 0.882 . . . . 0.0 110.633 -176.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.36 -25.86 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 118.009 0.368 . . . . 0.0 111.83 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.4 m -68.73 -38.86 80.49 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.807 0.443 . . . . 0.0 110.971 171.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.59 HD23 HG21 ' A' ' 10' ' ' ILE . 81.7 mt -63.16 -37.09 85.84 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 44.1 mt-10 -67.8 -49.32 62.95 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.495 0.718 . . . . 0.0 111.678 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -38.03 69.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -64.94 -58.35 6.36 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.657 0.383 . . . . 0.0 111.631 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -90.04 -4.33 57.45 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.033 0.533 . . . . 0.0 112.397 -171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 54.63 47.46 22.55 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.396 1.078 . . . . 0.0 110.547 -175.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -115.48 156.8 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 123.948 0.899 . . . . 0.0 109.765 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -111.8 116.2 30.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.051 0.94 . . . . 0.0 108.534 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -95.61 126.48 40.92 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.87 148.76 21.83 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -56.96 -35.6 69.32 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.099 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' HG2' ' A' ' 61' ' ' LYS . . . -57.54 -49.93 69.35 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.829 0.705 . . . . 0.0 112.483 174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.26 -35.72 76.15 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.919 0.888 . . . . 0.0 111.46 178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.75 -36.89 81.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.487 0.715 . . . . 0.0 111.621 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -73.96 -21.12 60.14 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.734 0.414 . . . . 0.0 111.367 174.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 28.8 mmmt -80.87 -11.14 59.64 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 122.515 0.326 . . . . 0.0 111.303 174.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 ' O ' H381 ' A' ' 88' ' ' PNS . 76.5 mt -79.11 139.29 38.1 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 173.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -120.38 -36.77 3.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.839 0.856 . . . . 0.0 109.301 173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -177.11 6.18 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.894 0.877 . . . . 0.0 110.827 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 22' ' ' LEU . 20.7 t -71.49 -15.59 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 123.216 0.606 . . . . 0.0 111.243 -177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.78 -32.19 73.82 Favored Glycine 0 N--CA 1.471 0.982 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 171.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -68.36 -41.08 81.15 Favored 'General case' 0 C--O 1.211 -0.928 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 169.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.83 -28.69 69.73 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.135 0.574 . . . . 0.0 111.42 174.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB2' HD21 ' A' ' 4' ' ' LEU . . . -65.49 -52.04 55.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.59 0.709 . . . . 0.0 109.455 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 22.9 t70 -64.93 -46.75 80.33 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 113.967 -1.469 . . . . 0.0 110.223 177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.23 -53.07 18.57 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 124.955 1.302 . . . . 0.0 111.614 -169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG11 HD21 ' A' ' 7' ' ' LEU . 49.4 t -66.35 -27.17 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-N 117.913 0.324 . . . . 0.0 110.61 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -71.66 -30.28 65.55 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 170.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 72.8 mmtt -67.49 -35.0 78.3 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 173.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.1 mmtt -63.81 -46.9 83.03 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.206 0.602 . . . . 0.0 109.776 175.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.15 -26.7 66.79 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.7 0.8 . . . . 0.0 110.901 176.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 -19.78 58.26 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.234 1.014 . . . . 0.0 110.822 175.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 25.7 mmm180 -85.7 -28.7 24.49 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.179 0.592 . . . . 0.0 110.808 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.8 mmtt -70.36 -75.97 0.11 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -173.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 50.88 -73.3 0.0 OUTLIER 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 125.017 1.327 . . . . 0.0 113.787 -171.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.93 -45.71 86.14 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.216 1.006 . . . . 0.0 112.782 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -68.56 91.92 0.44 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 174.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -81.14 130.48 35.04 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.329 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -76.05 -22.65 55.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.597 0.759 . . . . 0.0 110.83 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -131.45 137.79 48.75 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.049 0.939 . . . . 0.0 108.923 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -71.86 106.35 4.16 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 CA--C 1.559 1.305 0 C-N-CA 124.611 1.164 . . . . 0.0 110.039 -175.301 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.613 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.556 1.193 0 CA-C-O 118.124 -0.941 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -82.63 27.56 0.6 Allowed 'Trans proline' 0 C--N 1.395 2.978 0 C-N-CA 122.308 2.005 . . . . 0.0 113.895 -168.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.6 p -78.69 -58.69 3.12 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.98 -176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.446 HD23 HD12 ' A' ' 7' ' ' LEU . 87.8 mt -53.06 -36.42 60.6 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 123.901 0.88 . . . . 0.0 112.534 -173.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -53.13 -54.28 38.05 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.639 1.176 . . . . 0.0 110.823 172.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.46 -26.42 60.02 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.405 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD12 HD23 ' A' ' 4' ' ' LEU . 67.7 mt -76.96 -29.84 55.76 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.505 0.722 . . . . 0.0 110.972 -176.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 92.2 m -53.21 -51.62 73.59 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.596 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 50.4 Cg_exo -59.05 -33.01 98.47 Favored 'Trans proline' 0 C--N 1.39 2.716 0 C-N-CA 122.302 2.001 . . . . 0.0 113.225 173.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.9 -55.21 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 122.949 0.5 . . . . 0.0 110.375 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -42.95 88.91 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.697 0.799 . . . . 0.0 110.595 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -64.42 -25.26 67.94 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.733 0.413 . . . . 0.0 111.885 176.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -79.46 -52.07 8.52 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.307 0.503 . . . . 0.0 110.515 176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 42' ' ' LEU . 77.2 t -56.77 -51.44 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.811 1.245 . . . . 0.0 112.158 -178.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.76 -17.89 39.66 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.887 0.475 . . . . 0.0 111.361 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.6 t70 62.21 77.36 0.33 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.897 1.279 . . . . 0.0 110.458 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -161.07 176.83 10.92 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.117 -172.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -136.05 -22.21 1.39 Allowed 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.541 0.736 . . . . 0.0 111.051 -173.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.6 m -89.55 -3.14 58.46 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.693 0.797 . . . . 0.0 111.317 -176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.88 104.61 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.799 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.5 101.19 12.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.761 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD22 HG11 ' A' ' 65' ' ' VAL . 93.4 mt -74.97 140.53 43.73 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.057 -172.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.7 p -136.3 173.0 12.19 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -78.74 7.86 6.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.199 0.6 . . . . 0.0 111.575 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -126.98 -7.23 6.04 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.861 0.864 . . . . 0.0 111.807 174.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 64' ' ' ASN . 96.8 m -58.88 127.45 32.29 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 118.967 -0.539 . . . . 0.0 110.102 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.9 p -136.64 -172.53 3.19 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.853 0.861 . . . . 0.0 110.524 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.578 ' HB2' H422 ' A' ' 88' ' ' PNS . . . -56.86 -18.09 11.8 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 168.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -66.81 -42.27 86.16 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.004 0.521 . . . . 0.0 110.384 170.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.18 -28.6 31.98 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.745 0.818 . . . . 0.0 110.395 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -117.29 88.68 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.61 -28.4 67.15 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 123.672 0.789 . . . . 0.0 111.878 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.52 -12.17 60.88 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.586 1.154 . . . . 0.0 112.841 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -74.39 118.54 17.46 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-O 121.3 0.572 . . . . 0.0 110.003 -176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -120.56 -179.25 3.92 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.949 1.7 . . . . 0.0 107.961 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.0 m -74.56 -18.87 60.52 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 121.95 -0.469 . . . . 0.0 111.605 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.29 -36.77 61.12 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 169.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.33 -35.28 79.95 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.724 0.409 . . . . 0.0 110.632 173.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.89 -52.45 49.7 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.58 0.752 . . . . 0.0 110.239 169.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 82.4 mmm -65.57 -44.56 86.35 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.936 -174.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -60.1 -49.34 78.05 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.788 0.68 . . . . 0.0 110.618 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' HA ' HG21 ' A' ' 14' ' ' VAL . 3.1 tm? -64.62 -45.22 87.81 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.429 1.091 . . . . 0.0 110.992 -177.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 1.5 mp -69.6 -44.53 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.691 0.797 . . . . 0.0 111.249 -174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.65 -28.4 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.969 0.35 . . . . 0.0 110.949 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.1 m -63.74 -41.26 98.06 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.285 0.634 . . . . 0.0 110.605 171.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 52' ' ' ILE . 88.3 mt -66.35 -39.2 89.03 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.916 0.389 . . . . 0.0 110.475 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 51.4 mt-10 -67.83 -45.99 73.09 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.253 -177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -74.81 -39.3 45.56 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -70.74 -55.64 8.17 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.011 0.524 . . . . 0.0 111.577 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.461 ' HB3' HD21 ' A' ' 76' ' ' LEU . 84.0 m-85 -88.68 -6.78 57.24 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.348 0.659 . . . . 0.0 112.269 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.7 mptt 67.31 22.33 9.59 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.076 0.95 . . . . 0.0 111.007 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 46' ' ' LEU . 21.4 pt -98.18 -174.63 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.777 0.831 . . . . 0.0 109.11 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -149.05 125.66 11.04 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.335 0.516 . . . . 0.0 111.875 -175.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -109.25 136.36 48.83 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 168.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.425 ' O ' HD23 ' A' ' 59' ' ' LEU . . . -98.05 164.1 12.49 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 169.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.26 -28.03 66.35 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.026 0.531 . . . . 0.0 109.901 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.72 -39.9 98.06 Favored Glycine 0 C--N 1.352 1.47 0 O-C-N 123.324 0.39 . . . . 0.0 112.893 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 7.9 mm-40 -66.66 -39.19 88.09 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.125 0.57 . . . . 0.0 110.0 174.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 62' ' ' LEU . 3.9 mm? -60.43 -36.68 78.77 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.447 1.099 . . . . 0.0 111.672 177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -62.3 -35.43 79.03 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.223 0.609 . . . . 0.0 111.502 171.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -77.41 -14.46 59.7 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.096 0.558 . . . . 0.0 111.485 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 81.1 mt -87.23 95.58 10.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.307 0.643 . . . . 0.0 109.712 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -100.69 -15.09 17.84 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.067 175.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 66' ' ' GLY . 6.7 p-10 -164.84 174.56 10.49 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 120.968 0.413 . . . . 0.0 111.228 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HD22 ' A' ' 22' ' ' LEU . 59.2 t -62.99 -21.73 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 C-N-CA 124.999 1.319 . . . . 0.0 111.876 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 64' ' ' ASN . . . -68.4 -32.76 75.98 Favored Glycine 0 C--N 1.339 0.716 0 CA-C-N 116.276 -0.42 . . . . 0.0 112.068 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -67.68 -41.07 84.24 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 119.216 -0.421 . . . . 0.0 109.99 170.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.0 -38.62 86.69 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 117.855 0.298 . . . . 0.0 110.498 172.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.932 0.493 . . . . 0.0 110.13 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.35 -58.09 7.47 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.287 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.91 -48.6 78.26 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 123.617 0.573 . . . . 0.0 111.724 -172.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.82 -41.44 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 122.977 0.511 . . . . 0.0 110.511 177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -65.25 -39.98 93.39 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.113 0.482 . . . . 0.0 111.471 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -67.97 -37.98 82.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.045 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -77.53 -27.79 51.78 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.759 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 50' ' ' TYR . 58.2 mt -76.7 -23.73 53.14 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.071 0.549 . . . . 0.0 110.737 173.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.4 78.83 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.961 0.504 . . . . 0.0 110.246 168.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -73.62 -33.76 64.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.425 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 76' ' ' LEU . 5.5 mmtm -83.65 -9.19 59.05 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.738 0.815 . . . . 0.0 112.086 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.98 122.65 16.0 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.93 137.17 27.24 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 124.769 1.293 . . . . 0.0 111.357 -165.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -55.66 -35.61 66.15 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.018 1.327 . . . . 0.0 112.93 -170.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -75.57 119.09 19.14 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -72.34 -18.79 61.73 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.881 0.472 . . . . 0.0 111.106 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -70.46 78.22 0.56 Allowed 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 123.994 0.917 . . . . 0.0 110.731 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -156.93 166.44 33.35 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.8 1.64 . . . . 0.0 108.642 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 . . . . . 0 C--O 1.252 1.185 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 177.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.578 H422 ' HB2' ' A' ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 61.8 mtt . . . . . 0 CA--C 1.562 1.415 0 CA-C-O 118.424 -0.798 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 20.6 Cg_endo -98.2 38.51 0.1 OUTLIER 'Trans proline' 0 C--N 1.396 3.067 0 C-N-CA 122.856 2.371 . . . . 0.0 111.859 -177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.657 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 3.1 p -54.55 -75.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 124.062 0.945 . . . . 0.0 113.492 -166.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.8 mt -77.17 -34.93 56.26 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 118.859 0.754 . . . . 0.0 110.45 177.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -52.3 -54.96 24.81 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 125.224 1.409 . . . . 0.0 112.272 -173.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.17 -24.09 57.82 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.72 -175.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 3' ' ' THR . 28.4 mt -77.87 -27.8 49.8 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 119.192 -0.432 . . . . 0.0 112.109 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.3 m -58.07 -47.29 99.12 Favored Pre-proline 0 CA--C 1.574 1.894 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.818 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.45 -29.48 62.24 Favored 'Trans proline' 0 C--N 1.394 2.949 0 C-N-CA 122.132 1.888 . . . . 0.0 113.117 172.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.24 -55.98 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -66.1 -43.73 86.43 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.044 0.938 . . . . 0.0 110.318 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -57.88 -35.85 71.57 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.472 0.309 . . . . 0.0 111.194 176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -71.23 -51.84 22.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.671 0.388 . . . . 0.0 111.24 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' A' ' 42' ' ' LEU . 61.4 t -54.0 -53.33 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 124.603 1.161 . . . . 0.0 112.258 -177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -83.06 -11.93 57.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.989 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.0 t70 63.11 71.13 0.52 Allowed 'General case' 0 C--N 1.363 1.154 0 C-N-CA 124.691 1.196 . . . . 0.0 109.481 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -157.43 173.04 17.51 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.455 -1.248 . . . . 0.0 109.487 -166.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -141.5 -25.52 0.7 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.028 0.931 . . . . 0.0 110.642 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.6 m -70.28 -20.81 63.02 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.825 0.85 . . . . 0.0 111.495 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.23 114.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.856 0.862 . . . . 0.0 111.475 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -120.72 110.7 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 173.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 65' ' ' VAL . 90.0 mt -78.43 140.36 38.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.051 0.453 . . . . 0.0 111.948 -170.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.1 p -129.19 167.76 17.15 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 170.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -66.58 -18.54 65.42 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.972 0.509 . . . . 0.0 112.13 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -114.36 8.62 16.7 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -63.46 134.12 55.11 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 119.166 -0.445 . . . . 0.0 109.91 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 p -155.08 174.88 14.56 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.294 0.497 . . . . 0.0 111.881 -171.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.65 91.91 5.96 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 172.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 156.2 -60.72 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 -150.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.89 -19.45 54.72 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.934 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.3 mt -130.67 137.48 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.003 0.921 . . . . 0.0 109.661 -174.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -86.02 -41.54 14.75 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.899 0.879 . . . . 0.0 110.741 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.48 -18.67 60.06 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 124.115 0.966 . . . . 0.0 112.962 -173.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -91.82 75.2 5.69 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.071 0.948 . . . . 0.0 109.604 -175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -77.73 173.29 12.23 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.049 0.539 . . . . 0.0 110.561 173.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -64.11 -36.22 83.32 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.199 0.6 . . . . 0.0 111.816 -172.159 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.65 -27.57 65.16 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.857 0.463 . . . . 0.0 111.015 177.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.6 m -71.42 -31.64 67.46 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.067 0.547 . . . . 0.0 111.209 171.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.624 ' HE1' H421 ' A' ' 88' ' ' PNS . 79.7 m-70 -64.62 -41.3 96.28 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 122.597 0.359 . . . . 0.0 110.606 170.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -58.74 -47.7 83.73 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.4 0.438 . . . . 0.0 110.453 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.75 -37.73 88.6 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.842 0.714 . . . . 0.0 110.97 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.9 tm? -61.92 -54.56 40.15 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.828 0.851 . . . . 0.0 111.346 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 59' ' ' LEU . 1.7 mp -65.46 -44.89 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.577 0.751 . . . . 0.0 110.561 -176.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.7 m -67.19 -29.46 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 118.302 0.501 . . . . 0.0 111.846 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m -62.8 -42.71 99.83 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.918 0.487 . . . . 0.0 110.403 171.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.03 -43.67 94.88 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.749 0.419 . . . . 0.0 110.58 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -62.5 -44.1 97.21 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.399 -177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.18 -42.51 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.082 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -63.11 -54.32 39.76 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 123.294 0.638 . . . . 0.0 111.927 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -88.56 -4.1 58.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.113 0.565 . . . . 0.0 112.012 -176.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.5 mptt 59.63 41.2 19.11 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.9 0.88 . . . . 0.0 110.837 -176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.7 pt -113.3 -174.03 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.1 0.96 . . . . 0.0 110.305 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -160.84 132.9 5.92 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -107.84 150.79 26.59 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.617 0.767 . . . . 0.0 109.725 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.26 147.21 24.25 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 170.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -28.12 69.64 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.093 0.557 . . . . 0.0 109.709 175.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.3 -40.25 95.69 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 111.911 -0.475 . . . . 0.0 111.911 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.542 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 68.2 mt-10 -70.24 -33.1 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.368 0.667 . . . . 0.0 110.723 176.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD13 HD12 ' A' ' 62' ' ' LEU . 4.0 mm? -57.76 -38.88 76.17 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 124.009 0.924 . . . . 0.0 111.305 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -67.17 -20.98 65.81 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.133 0.573 . . . . 0.0 112.128 176.278 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -96.01 -13.48 23.74 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.081 0.952 . . . . 0.0 111.674 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 95.2 mt -81.06 88.23 5.98 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HD2' HD21 ' A' ' 64' ' ' ASN . 8.2 tmtm? -88.71 -29.04 20.15 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.155 0.582 . . . . 0.0 109.607 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.467 HD21 ' HD2' ' A' ' 63' ' ' LYS . 30.0 m-80 -139.45 173.95 11.01 Favored 'General case' 0 N--CA 1.485 1.322 0 CA-C-O 121.49 0.662 . . . . 0.0 111.832 -176.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 22' ' ' LEU . 58.8 t -60.68 -31.9 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.899 1.28 . . . . 0.0 110.745 168.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.73 90.06 Favored Glycine 0 C--N 1.346 1.107 0 O-C-N 123.56 0.538 . . . . 0.0 112.085 175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.3 -43.6 81.32 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.24 0.616 . . . . 0.0 110.255 173.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.9 mm? -58.91 -45.2 90.87 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 123.276 0.36 . . . . 0.0 110.31 171.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.02 -38.56 86.52 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.944 0.898 . . . . 0.0 110.559 -176.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.7 t70 -66.02 -51.93 53.87 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.45 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.542 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 3.9 mm? -67.95 -49.54 61.19 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.147 0.579 . . . . 0.0 111.879 -174.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 68' ' ' LEU . 95.0 t -50.03 -45.18 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 124.731 1.213 . . . . 0.0 110.835 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.554 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.1 t70 -70.5 -30.22 66.94 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.154 0.582 . . . . 0.0 111.365 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 78' ' ' ARG . 43.8 mmtm -65.04 -37.57 88.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 70.8 mmtt -72.23 -39.65 68.34 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.267 0.627 . . . . 0.0 109.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 73' ' ' ASP . 70.5 mt -61.32 -36.4 80.02 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.084 0.954 . . . . 0.0 110.661 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.568 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -67.87 -32.11 72.39 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.393 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.6 mmt180 -72.11 -25.83 61.89 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.925 0.49 . . . . 0.0 110.472 173.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -79.24 -7.55 58.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.521 0.728 . . . . 0.0 112.429 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 77' ' ' ALA . 2.1 mm? -58.37 93.83 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.954 0.784 . . . . 0.0 110.142 178.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.53 140.26 38.56 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.211 -171.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -59.13 -49.03 79.43 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.75 0.82 . . . . 0.0 112.013 -171.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -178.45 137.16 0.16 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.547 1.139 . . . . 0.0 108.964 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -86.04 -170.1 2.94 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.881 0.872 . . . . 0.0 109.519 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -63.65 -37.0 85.67 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -175.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.35 -56.99 2.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.546 0.739 . . . . 0.0 110.209 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 123.259 0.624 . . . . 0.0 109.353 -175.7 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.624 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtm . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -84.41 40.37 0.86 Allowed 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.804 2.336 . . . . 0.0 112.245 -176.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.651 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 21.9 p -62.98 -72.31 0.14 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.888 0.875 . . . . 0.0 111.281 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.13 -29.26 43.07 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.94 0.496 . . . . 0.0 110.826 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -57.03 -51.53 68.91 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.197 0.999 . . . . 0.0 111.616 -178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.2 75.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.355 0.662 . . . . 0.0 111.645 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 72' ' ' VAL . 69.2 mt -73.7 -34.09 64.7 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.19 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.447 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 45.9 m -49.75 -52.9 47.22 Favored Pre-proline 0 CA--C 1.571 1.773 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -174.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.447 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 31.8 Cg_exo -62.88 -31.31 77.7 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 122.37 2.047 . . . . 0.0 112.923 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mm -69.17 -44.82 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.402 0.681 . . . . 0.0 110.236 -176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -68.05 -49.72 59.65 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.393 0.677 . . . . 0.0 110.505 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.08 -21.63 66.6 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.402 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -80.64 -56.89 3.85 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.022 0.529 . . . . 0.0 110.796 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.54 -52.32 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 124.244 1.018 . . . . 0.0 111.566 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -82.37 -12.21 58.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.206 0.602 . . . . 0.0 111.252 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.3 t70 64.08 32.42 12.8 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.215 1.007 . . . . 0.0 110.466 172.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -137.04 118.38 14.64 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.037 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -79.89 -16.28 55.66 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.768 0.827 . . . . 0.0 111.581 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.6 m -66.39 -17.52 64.82 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.03 0.532 . . . . 0.0 111.251 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.15 112.88 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.298 1.039 . . . . 0.0 110.896 173.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.48 112.11 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 172.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.606 HD22 HG11 ' A' ' 65' ' ' VAL . 90.1 mt -80.27 140.69 36.09 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.499 0.72 . . . . 0.0 112.138 -168.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.5 p -129.51 177.43 7.21 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.646 1.178 . . . . 0.0 108.167 170.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 94.7 mtt180 -68.82 -12.69 61.79 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.296 0.638 . . . . 0.0 111.912 174.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -119.63 -3.15 10.37 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.001 0.921 . . . . 0.0 112.488 -175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -64.87 142.62 58.37 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 169.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.3 p -161.05 -170.22 2.62 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 118.613 0.642 . . . . 0.0 111.28 -175.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.05 -27.61 54.08 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.437 1.095 . . . . 0.0 112.948 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -66.7 -36.85 83.48 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.421 1.089 . . . . 0.0 111.961 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -85.16 -15.5 43.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.56 0.744 . . . . 0.0 112.986 -170.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.6 mt -120.08 110.63 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.62 -38.35 87.33 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.536 0.734 . . . . 0.0 111.889 -176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.52 -4.06 37.67 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -79.1 80.8 5.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.521 0.728 . . . . 0.0 110.478 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -74.15 173.68 9.78 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.935 0.494 . . . . 0.0 111.219 164.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.474 ' HA ' H282 ' A' ' 88' ' ' PNS . 0.7 OUTLIER -59.11 -37.74 77.91 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.335 170.499 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.15 -45.59 91.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.601 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 m -68.38 -35.06 77.14 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.237 1.015 . . . . 0.0 110.881 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -60.25 -44.29 95.38 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.517 1.127 . . . . 0.0 110.133 174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.7 mmm -68.6 -38.08 80.34 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.993 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -58.86 -42.1 88.6 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 123.345 0.403 . . . . 0.0 110.461 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.38 -51.35 66.24 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 110.71 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.7 mp -64.93 -45.76 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.857 -176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.4 -27.94 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.321 0 CA-C-N 118.112 0.415 . . . . 0.0 111.889 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.4 m -64.18 -44.28 92.5 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.888 0.475 . . . . 0.0 110.726 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.15 -35.14 80.15 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.666 0.386 . . . . 0.0 111.652 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.3 mm-40 -58.76 -58.41 8.7 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.057 0.943 . . . . 0.0 110.852 177.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.55 -38.47 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.088 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -62.47 -61.52 2.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.433 0.693 . . . . 0.0 111.956 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -93.3 -0.18 56.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.581 0.752 . . . . 0.0 112.132 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 61.29 34.31 18.63 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.282 1.033 . . . . 0.0 110.839 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.4 pt -106.32 177.53 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.585 0.754 . . . . 0.0 110.189 -174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -141.98 107.33 5.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -83.45 132.71 34.95 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 169.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' HG3' ' A' ' 58' ' ' GLU . . . -89.64 143.28 26.94 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 170.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 3.0 tm? -57.28 -35.97 70.45 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.505 0.722 . . . . 0.0 110.663 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -60.93 -39.92 97.65 Favored Glycine 0 CA--C 1.537 1.453 0 O-C-N 123.605 0.565 . . . . 0.0 112.446 175.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 50.4 mt-10 -64.39 -38.66 91.82 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.34 0.656 . . . . 0.0 110.264 175.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.04 -33.38 75.66 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.147 0.579 . . . . 0.0 111.394 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 56' ' ' LEU . 11.2 mm-40 -69.14 -24.09 64.04 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.114 0.566 . . . . 0.0 111.573 172.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -85.95 -1.86 57.73 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.507 0.723 . . . . 0.0 111.666 175.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 58' ' ' GLU . 40.4 mt -103.81 115.74 31.03 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.586 ' HA ' H381 ' A' ' 88' ' ' PNS . 1.2 tmtp? -101.53 -29.99 11.66 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.048 0.539 . . . . 0.0 109.652 177.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -130.91 168.88 16.58 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.616 0.722 . . . . 0.0 110.765 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.606 HG11 HD22 ' A' ' 22' ' ' LEU . 59.3 t -60.53 -29.65 45.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 113.752 -1.567 . . . . 0.0 110.27 170.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 24' ' ' ARG . . . -67.59 -37.97 89.95 Favored Glycine 0 C--N 1.347 1.175 0 O-C-N 123.487 0.492 . . . . 0.0 112.536 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -65.91 -47.79 73.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.136 0.574 . . . . 0.0 109.701 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 72' ' ' VAL . 59.4 tp -60.63 -35.53 76.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.857 0.863 . . . . 0.0 111.232 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.651 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -69.68 -44.1 71.14 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.716 1.206 . . . . 0.0 110.593 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 23.8 t70 -58.67 -41.65 86.65 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.225 173.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -42.98 71.43 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.373 -175.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 7' ' ' LEU . 89.6 t -58.63 -41.37 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 C-N-CA 123.279 0.632 . . . . 0.0 110.284 173.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' HB2' HG22 ' A' ' 3' ' ' THR . 23.1 t70 -62.3 -36.11 81.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.131 0.972 . . . . 0.0 111.313 177.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 30.1 mmtm -66.82 -39.31 87.63 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.39 -42.91 78.38 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.233 0.613 . . . . 0.0 110.784 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.7 mt -67.37 -28.63 68.11 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.317 0.647 . . . . 0.0 110.491 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.167 0.587 . . . . 0.0 110.806 171.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.619 ' HA ' ' HG2' ' A' ' 81' ' ' GLU . 24.2 mmm180 -75.35 -16.52 60.38 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.127 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -73.77 -29.16 62.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.233 0.613 . . . . 0.0 110.717 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -92.4 16.26 12.17 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 122.739 0.416 . . . . 0.0 111.237 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.619 ' HG2' ' HA ' ' A' ' 78' ' ' ARG . 40.5 mm-40 -68.8 -42.91 76.67 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 122.846 0.458 . . . . 0.0 110.774 169.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 p80 -73.39 96.12 2.3 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -79.14 84.49 5.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.865 0.866 . . . . 0.0 110.948 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -87.96 145.57 25.95 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.774 172.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -74.06 120.66 19.94 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -71.77 -19.05 62.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.531 0.732 . . . . 0.0 110.718 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 CA--C 1.553 1.08 0 C-N-CA 124.018 0.927 . . . . 0.0 109.472 171.808 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.586 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mtp . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.511 ' HA ' ' HB3' ' A' ' 5' ' ' ASP . 42.3 Cg_endo -88.25 41.55 0.64 Allowed 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 123.494 2.796 . . . . 0.0 112.314 -175.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.603 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 18.9 p -70.52 -76.8 0.1 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.427 0.691 . . . . 0.0 111.463 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.46 -28.95 33.93 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 23.1 t70 -51.76 -62.19 1.78 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.493 1.517 . . . . 0.0 111.995 -176.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . -77.24 -26.68 52.84 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.161 -173.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 72' ' ' VAL . 52.4 mt -67.48 -32.9 74.05 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.576 0.35 . . . . 0.0 111.49 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -57.76 -48.4 97.25 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.033 -0.984 . . . . 0.0 113.11 -174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 6' ' ' ALA . 77.3 Cg_exo -54.13 -41.18 77.85 Favored 'Trans proline' 0 C--N 1.404 3.455 0 C-N-CA 122.976 2.451 . . . . 0.0 113.429 171.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.3 -54.22 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 123.161 0.584 . . . . 0.0 110.369 -176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -65.9 -44.8 84.17 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.717 0.807 . . . . 0.0 110.421 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -60.36 -31.9 70.77 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 122.668 0.387 . . . . 0.0 111.734 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -76.85 -55.57 5.36 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 117.798 0.272 . . . . 0.0 111.175 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -54.58 -48.24 71.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.817 0.847 . . . . 0.0 111.595 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -83.95 -18.77 36.19 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 t70 62.76 81.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.401 1.08 . . . . 0.0 109.271 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -162.86 172.14 15.6 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.382 -168.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -138.53 -19.45 1.07 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 124.099 0.96 . . . . 0.0 110.668 -176.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.4 m -83.62 -9.46 58.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.274 1.03 . . . . 0.0 112.132 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.78 103.19 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-O 121.281 0.563 . . . . 0.0 110.308 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.1 85.45 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.02 135.75 56.3 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.477 -1.238 . . . . 0.0 113.183 -168.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -118.72 179.59 4.09 Favored 'General case' 0 C--O 1.247 0.926 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 170.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -68.41 -43.28 77.58 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 173.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -79.16 -4.35 50.04 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.5 m -60.15 141.21 56.27 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.531 ' H ' ' HB3' ' A' ' 30' ' ' ASP . 79.9 p -166.1 179.72 5.6 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.35 0.66 . . . . 0.0 109.749 -172.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' H301 ' A' ' 88' ' ' PNS . . . -74.42 -7.71 53.84 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.348 0.659 . . . . 0.0 111.79 173.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -83.53 -42.03 17.28 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 168.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.531 ' HB3' ' H ' ' A' ' 27' ' ' SER . 33.8 t70 -78.24 -17.69 56.37 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.688 1.195 . . . . 0.0 111.13 -178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 43.0 mt -121.7 108.37 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.99 -31.73 69.57 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.623 0.769 . . . . 0.0 111.077 -170.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.45 -2.97 57.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.479 0.712 . . . . 0.0 112.278 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -82.96 76.03 9.82 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.36 167.99 0.6 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.388 1.475 . . . . 0.0 111.467 174.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -44.61 95.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.625 0.77 . . . . 0.0 109.625 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.0 -11.4 59.57 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.862 0.865 . . . . 0.0 111.759 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.2 m -66.05 -33.51 75.97 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -55.59 -40.59 72.21 Favored 'General case' 0 C--O 1.207 -1.151 0 O-C-N 123.842 0.713 . . . . 0.0 111.599 169.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.1 mmm -59.54 -32.58 70.46 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.083 0.401 . . . . 0.0 111.077 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -69.16 -36.49 77.43 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.493 0.717 . . . . 0.0 110.722 173.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 4.0 mm? -64.03 -52.91 57.21 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.13 0.572 . . . . 0.0 110.219 175.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 mp -51.58 -57.31 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 124.345 1.058 . . . . 0.0 110.338 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.9 m -63.4 -36.17 75.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 O-C-N 123.592 0.557 . . . . 0.0 111.741 -174.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.6 m -65.77 -46.59 78.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.879 0.471 . . . . 0.0 111.262 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' HB2' ' HZ ' ' A' ' 54' ' ' PHE . 80.0 mt -65.89 -40.41 91.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.978 0.418 . . . . 0.0 110.586 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.37 -53.04 62.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.704 0.802 . . . . 0.0 111.673 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.49 -41.9 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -66.18 -49.56 66.91 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 123.33 0.652 . . . . 0.0 111.466 -177.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.495 ' HB3' HD21 ' A' ' 76' ' ' LEU . 75.1 m-85 -86.26 -11.96 50.89 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.261 0.625 . . . . 0.0 112.098 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 65.81 26.18 11.24 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 -179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 75' ' ' LYS . 19.7 pt -95.72 174.74 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.231 0.612 . . . . 0.0 110.104 -172.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.94 110.27 7.41 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -176.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 2.1 p90 -128.25 156.95 42.18 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.583 0.753 . . . . 0.0 110.347 167.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.78 143.25 31.16 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.266 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.43 -26.67 63.56 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 124.209 1.004 . . . . 0.0 110.87 -176.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.14 -42.43 95.2 Favored Glycine 0 CA--C 1.537 1.446 0 O-C-N 123.033 0.208 . . . . 0.0 112.842 173.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.04 -38.99 90.83 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.551 0.74 . . . . 0.0 110.24 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.793 HD13 HD12 ' A' ' 62' ' ' LEU . 3.2 mm? -65.58 -34.81 79.1 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.727 0.811 . . . . 0.0 112.083 -177.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -61.85 -24.57 66.99 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.131 0.573 . . . . 0.0 112.192 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.95 -11.97 42.9 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.663 0.785 . . . . 0.0 111.602 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 59' ' ' LEU . 38.1 mt -88.34 98.27 11.5 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -178.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' HA ' H381 ' A' ' 88' ' ' PNS . 0.3 OUTLIER -86.16 -23.28 26.6 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 124.554 1.142 . . . . 0.0 110.805 -171.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.44 174.79 13.92 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.573 0.349 . . . . 0.0 110.986 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HB2' ' A' ' 68' ' ' LEU . 88.5 t -73.13 -10.71 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 124.334 1.054 . . . . 0.0 110.754 -175.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.42 -39.36 87.36 Favored Glycine 0 C--N 1.347 1.149 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 168.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.578 ' HB3' HD22 ' A' ' 62' ' ' LEU . 61.2 m-20 -66.41 -43.32 86.05 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 123.042 0.537 . . . . 0.0 109.87 172.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 65' ' ' VAL . 4.0 mm? -63.66 -38.61 91.75 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.152 0.581 . . . . 0.0 111.775 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.603 ' HB1' ' HB ' ' A' ' 3' ' ' THR . . . -61.03 -52.46 64.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.058 0.543 . . . . 0.0 109.84 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 29.5 t70 -59.83 -51.62 68.95 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.145 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.648 ' HG ' HD11 ' A' ' 62' ' ' LEU . 1.9 tm? -56.32 -59.05 5.52 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 125.163 1.385 . . . . 0.0 111.905 -173.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 7' ' ' LEU . 77.6 t -57.96 -37.58 61.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 123.878 0.871 . . . . 0.0 110.504 -177.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.38 -36.8 79.7 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 123.125 0.57 . . . . 0.0 111.591 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 2.5 mmmp? -63.49 -41.0 98.56 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 177.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.71 ' HE3' ' HB3' ' A' ' 54' ' ' PHE . 73.1 mmtt -70.3 -38.46 74.97 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.536 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 50' ' ' TYR . 69.8 mt -69.21 -29.44 67.4 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.65 0.78 . . . . 0.0 111.321 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.26 81.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.159 0.584 . . . . 0.0 110.019 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -69.91 -24.85 63.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.258 173.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.13 -10.51 59.44 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.253 0.621 . . . . 0.0 112.058 178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.85 85.23 0.08 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.366 0.603 . . . . 0.0 110.167 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.54 148.0 33.02 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -67.88 -19.03 64.98 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.201 0.6 . . . . 0.0 111.302 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 66.01 96.75 0.05 Allowed 'General case' 0 C--N 1.351 0.652 0 C-N-CA 125.238 1.415 . . . . 0.0 109.417 -174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -67.77 142.9 56.08 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.295 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -87.49 42.32 1.03 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 123.921 0.889 . . . . 0.0 110.66 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -111.4 -20.25 12.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.011 1.324 . . . . 0.0 109.6 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.3 t60 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 125.342 1.457 . . . . 0.0 110.075 -174.215 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.539 H381 ' HA ' ' A' ' 63' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 23.2 ttt . . . . . 0 CA--C 1.562 1.411 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 18.7 Cg_endo -96.56 33.7 0.14 Allowed 'Trans proline' 0 C--N 1.391 2.792 0 C-N-CA 122.527 2.151 . . . . 0.0 111.461 -176.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 73' ' ' ASP . 68.7 p -64.36 -75.85 0.08 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.746 0.819 . . . . 0.0 113.1 -163.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.31 -38.24 86.13 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.576 0.75 . . . . 0.0 109.86 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.0 -50.5 72.51 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.58 1.175 . . . . 0.0 111.526 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.54 79.09 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.522 0.729 . . . . 0.0 110.842 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 72' ' ' VAL . 93.7 mt -66.96 -35.34 79.74 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.379 0.672 . . . . 0.0 110.998 178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -53.6 -50.49 82.98 Favored Pre-proline 0 CA--C 1.576 1.961 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -171.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -63.34 -29.45 72.5 Favored 'Trans proline' 0 C--N 1.396 3.028 0 C-N-CA 122.426 2.084 . . . . 0.0 112.666 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.79 -46.4 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.312 0.645 . . . . 0.0 110.11 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -71.45 -45.12 63.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.554 0.742 . . . . 0.0 110.005 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.69 -32.59 69.29 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.048 0.539 . . . . 0.0 112.01 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.26 -60.67 2.56 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.629 0.772 . . . . 0.0 110.289 173.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.609 HG21 ' HA ' ' A' ' 42' ' ' LEU . 54.0 t -59.63 -47.88 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.834 1.254 . . . . 0.0 112.3 -171.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -88.23 -8.4 55.32 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.814 0.445 . . . . 0.0 111.43 -176.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.19 52.39 2.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.554 1.141 . . . . 0.0 110.376 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -154.25 116.54 4.31 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.266 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.38 -11.34 59.92 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.892 0.877 . . . . 0.0 111.697 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.3 m -82.42 -7.65 59.63 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 122.113 -0.367 . . . . 0.0 111.847 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.99 118.55 2.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 C-N-CA 123.342 0.657 . . . . 0.0 110.999 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.69 97.25 4.99 Favored 'Isoleucine or valine' 0 C--O 1.244 0.799 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 65' ' ' VAL . 74.9 mt -62.78 128.58 36.59 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.803 0.69 . . . . 0.0 111.891 -172.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.4 p -112.31 161.11 17.0 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -57.28 -46.58 82.99 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 122.627 0.371 . . . . 0.0 110.385 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.51 11.56 8.48 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -175.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 65' ' ' VAL . 92.4 m -65.07 96.87 0.21 Allowed 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 118.147 0.43 . . . . 0.0 110.88 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 86.6 p -105.08 -175.95 2.94 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.011 0.524 . . . . 0.0 110.406 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.19 -13.05 15.23 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.757 0.823 . . . . 0.0 112.754 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -86.05 -34.67 20.65 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.319 0.648 . . . . 0.0 110.565 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -77.98 -24.79 47.91 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.112 0.565 . . . . 0.0 111.087 -176.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.8 mt -116.25 108.06 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.41 -36.78 85.27 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.086 0.555 . . . . 0.0 111.222 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.99 -5.64 42.56 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.637 0.775 . . . . 0.0 112.643 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -85.08 67.51 10.22 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.54 0.736 . . . . 0.0 110.058 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -82.86 171.65 13.67 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.475 0.71 . . . . 0.0 109.663 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' HA ' ' HD2' ' A' ' 39' ' ' HIS . 48.7 m -52.89 -36.28 59.12 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -75.69 -33.16 60.34 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 122.613 0.365 . . . . 0.0 111.043 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.4 m -69.24 -31.26 69.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.079 0.552 . . . . 0.0 111.177 173.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' HE1' H421 ' A' ' 88' ' ' PNS . 82.6 m-70 -56.72 -42.55 79.41 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 123.18 0.592 . . . . 0.0 110.809 170.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 93.3 mmm -62.54 -45.7 91.76 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.714 0.406 . . . . 0.0 110.845 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -64.5 -39.49 93.89 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.725 0.81 . . . . 0.0 111.05 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.609 ' HA ' HG21 ' A' ' 14' ' ' VAL . 2.7 tm? -60.45 -49.23 78.4 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.084 0.954 . . . . 0.0 110.783 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 1.5 mp -64.35 -53.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.526 -177.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.98 -29.04 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.8 m -64.93 -45.89 83.92 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.29 0.636 . . . . 0.0 111.208 173.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.5 mt -62.52 -40.9 98.24 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 122.508 0.323 . . . . 0.0 111.463 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 43' ' ' ILE . 6.8 mm-40 -60.0 -53.0 63.0 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.938 0.895 . . . . 0.0 111.477 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -68.43 -42.61 84.1 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -65.01 -51.46 61.51 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.258 0.623 . . . . 0.0 112.18 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -96.91 -1.85 44.98 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 58.15 33.75 23.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.236 1.014 . . . . 0.0 110.999 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.2 pt -98.27 175.66 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.427 0.691 . . . . 0.0 109.514 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -145.25 109.6 4.92 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.307 0.643 . . . . 0.0 110.192 -175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -81.75 134.11 35.41 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.38 136.18 33.17 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 167.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -54.83 -33.52 61.77 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.36 1.064 . . . . 0.0 111.958 -173.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.39 -46.97 93.29 Favored Glycine 0 C--N 1.349 1.271 0 O-C-N 123.41 0.444 . . . . 0.0 113.003 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.39 -38.12 89.92 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.869 0.868 . . . . 0.0 110.195 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD22 HD12 ' A' ' 62' ' ' LEU . 0.7 OUTLIER -67.44 -37.75 83.46 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.998 1.319 . . . . 0.0 111.605 -170.244 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.666 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.0 OUTLIER -71.16 -19.14 62.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 175.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.8 -8.3 58.87 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.096 0.558 . . . . 0.0 110.963 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD21 ' HG ' ' A' ' 71' ' ' LEU . 25.0 mt -84.57 91.62 7.93 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -77.74 -27.64 50.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.132 1.373 . . . . 0.0 110.661 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.531 HD22 ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -159.65 -179.37 7.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 -176.25 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 22' ' ' LEU . 91.8 t -67.6 -19.8 25.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 124.668 1.187 . . . . 0.0 110.897 -178.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.76 -40.92 98.98 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 170.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.507 ' HB3' HD22 ' A' ' 62' ' ' LEU . 34.8 m-20 -69.51 -41.87 75.46 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.085 0.554 . . . . 0.0 110.831 174.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.98 -37.19 81.58 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.187 0.449 . . . . 0.0 110.836 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.3 -56.29 23.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.407 0.683 . . . . 0.0 110.019 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 74' ' ' LYS . 20.5 m-20 -61.34 -47.82 84.13 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.86 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.581 ' HG ' HD21 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -69.12 -48.85 61.38 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.652 0.781 . . . . 0.0 111.798 -169.135 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.2 t -58.27 -38.49 69.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 122.95 0.5 . . . . 0.0 110.21 174.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.629 ' HB2' HG22 ' A' ' 3' ' ' THR . 16.8 t70 -70.86 -31.0 67.54 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.123 0.569 . . . . 0.0 111.048 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 70' ' ' ASP . 32.4 mmmt -65.84 -35.67 81.33 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' LYS . 75.3 mmtt -69.69 -39.49 76.93 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.445 0.698 . . . . 0.0 110.214 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 72' ' ' VAL . 93.1 mt -68.54 -28.73 67.24 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.644 0.778 . . . . 0.0 110.781 177.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.633 0.773 . . . . 0.0 110.159 172.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' LYS . 14.1 mmm-85 -73.98 -14.46 61.03 Favored 'General case' 0 N--CA 1.481 1.122 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.199 173.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 74.5 mmtt -84.35 -72.36 0.47 Allowed 'General case' 0 C--N 1.353 0.755 0 C-N-CA 122.508 0.323 . . . . 0.0 110.249 171.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.2 mt 40.42 45.57 1.9 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 124.382 1.073 . . . . 0.0 111.126 -167.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.75 144.01 57.15 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.42 -1.264 . . . . 0.0 110.238 -166.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -48.01 -55.43 10.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.212 1.405 . . . . 0.0 111.824 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.497 ' HD2' ' HB3' ' A' ' 87' ' ' HIS . 11.7 t-160 176.57 -38.52 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.319 1.047 . . . . 0.0 110.602 178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 23.3 m170 59.89 -82.53 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.684 1.194 . . . . 0.0 110.579 -165.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -176.96 14.23 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.822 1.649 . . . . 0.0 108.965 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -142.82 82.28 1.76 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.646 0.779 . . . . 0.0 108.957 -170.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 83' ' ' HIS . 47.0 t-80 . . . . . 0 C--O 1.251 1.165 0 C-N-CA 124.995 1.318 . . . . 0.0 108.055 172.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PNS . . . . . 0.502 H421 ' HE1' ' A' ' 39' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_