data_2jzp_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 2jzp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.43 174.86 4.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 111.187 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 m -129.11 133.68 47.75 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -118.79 132.6 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -110.47 109.52 19.91 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.451 1.1 . . . . 0.0 109.476 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.46 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -106.75 121.47 44.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 103.148 -2.908 . . . . 0.0 103.148 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.17 121.86 46.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.97 109.89 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 126.407 1.883 . . . . 0.0 106.873 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -83.33 155.45 23.55 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.199 0.6 . . . . 0.0 111.811 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -24.45 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.496 0.318 . . . . 0.0 110.764 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -66.73 -27.59 67.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 109.456 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.34 -12.26 19.16 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 126.023 1.773 . . . . 0.0 112.983 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.03 170.17 13.41 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 118.641 1.221 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.86 160.11 39.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.779 0.832 . . . . 0.0 109.352 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.05 145.94 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 126.106 1.762 . . . . 0.0 107.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.81 138.47 54.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.87 117.3 12.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 121.668 -0.645 . . . . 0.0 109.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -96.49 133.34 41.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -122.04 144.06 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.921 1.688 . . . . 0.0 106.642 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -127.6 148.83 50.36 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.245 1.018 . . . . 0.0 108.613 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.35 -161.4 26.06 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -67.32 163.99 19.44 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.647 -0.913 . . . . 0.0 109.784 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -53.62 -40.66 65.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.414 1.486 . . . . 0.0 110.416 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -73.52 -46.28 48.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.237 1.415 . . . . 0.0 111.977 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -54.62 36.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.402 1.081 . . . . 0.0 111.585 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.24 66.95 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.53 0.604 . . . . 0.0 111.388 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -68.22 -44.62 75.33 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.679 0.672 . . . . 0.0 109.644 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.9 t -60.19 -36.17 77.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.299 0.64 . . . . 0.0 110.979 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.98 -37.65 66.95 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.714 0.806 . . . . 0.0 110.605 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.03 93.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.99 -29.41 63.01 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.24 -0.41 . . . . 0.0 109.917 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.3 70.79 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 119.475 1.034 . . . . 0.0 109.271 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.77 -46.82 87.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.36 90.83 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.588 -0.695 . . . . 0.0 111.039 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.51 -37.36 87.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 117.79 -1.1 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -37.47 77.65 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.32 -17.05 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.965 0.506 . . . . 0.0 112.263 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -23.22 61.84 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.785 0.834 . . . . 0.0 113.187 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.58 -39.64 67.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.643 1.11 . . . . 0.0 112.51 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.52 -3.13 25.71 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -125.66 -9.71 6.77 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.181 0.992 . . . . 0.0 112.622 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.96 -178.02 53.7 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 121.836 0.687 . . . . 0.0 113.149 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.5 153.47 15.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.608 -0.796 . . . . 0.0 109.802 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -137.6 167.56 21.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.434 1.112 . . . . 0.0 111.426 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -123.3 158.42 31.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.09 144.97 25.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.92 141.79 51.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.54 1.136 . . . . 0.0 110.459 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.49 120.03 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.339 1.456 . . . . 0.0 109.367 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.57 164.27 26.2 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.781 1.232 . . . . 0.0 108.185 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.24 53.21 8.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.558 1.543 . . . . 0.0 110.632 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 57.07 18.72 4.21 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.722 1.609 . . . . 0.0 114.663 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.77 -13.73 45.96 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.507 1.527 . . . . 0.0 112.501 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.43 -12.96 61.32 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.316 1.058 . . . . 0.0 111.513 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.8 m -127.79 129.09 46.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -122.74 131.52 53.82 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.693 0.797 . . . . 0.0 108.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.92 120.83 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -123.34 122.23 64.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -121.14 127.64 51.76 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -85.49 125.78 33.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.28 58.57 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.245 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.66 1.6 . . . . 0.0 110.68 -179.76 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 121.216 0.532 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.62 173.78 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 128.207 2.603 . . . . 0.0 108.13 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -135.41 100.74 4.6 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.029 0.932 . . . . 0.0 109.221 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.0 mt -92.51 131.99 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -102.32 138.11 39.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 126.984 2.114 . . . . 0.0 109.16 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.71 119.67 32.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.792 1.237 . . . . 0.0 109.716 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -98.61 116.77 31.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.76 104.36 14.65 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.301 1.44 . . . . 0.0 108.383 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.46 103.01 14.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -77.62 157.7 30.12 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.388 -0.82 . . . . 0.0 111.692 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.08 92.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.303 0.641 . . . . 0.0 109.818 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -63.36 -7.67 7.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.928 2.091 . . . . 0.0 114.253 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.32 -17.74 58.09 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.837 1.208 . . . . 0.0 114.703 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -76.58 174.87 9.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.606 1.703 . . . . 0.0 107.048 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -143.81 162.96 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.499 1.12 . . . . 0.0 109.874 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -150.13 145.64 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -133.28 138.33 46.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.54 163.9 32.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.33 153.28 51.9 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.7 134.83 43.54 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 127.063 2.145 . . . . 0.0 106.852 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -116.14 140.84 48.88 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.609 1.164 . . . . 0.0 108.527 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.12 -156.06 26.81 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.53 159.38 34.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.22 -45.59 79.84 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.693 -0.63 . . . . 0.0 110.243 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -70.73 -11.9 61.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.675 1.19 . . . . 0.0 112.076 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -62.66 1.45 Allowed 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.74 84.76 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.558 1.143 . . . . 0.0 113.494 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -64.5 -45.68 86.25 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -66.91 -36.37 82.1 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.512 1.125 . . . . 0.0 112.44 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.48 -31.96 60.41 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.243 -0.911 . . . . 0.0 110.047 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.42 83.09 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.98 -30.9 64.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.36 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.41 77.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -61.39 -41.17 96.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.086 0.954 . . . . 0.0 110.345 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.6 82.29 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.58 -36.17 82.97 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.044 -1.035 . . . . 0.0 112.896 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -67.56 -37.62 82.91 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.508 1.049 . . . . 0.0 108.947 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.8 -18.15 62.75 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.315 1.046 . . . . 0.0 113.189 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -54.81 -25.4 28.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.952 1.301 . . . . 0.0 111.961 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -51.56 -37.21 48.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.875 2.07 . . . . 0.0 112.55 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -126.84 -17.65 4.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.065 0.946 . . . . 0.0 112.281 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -96.49 -8.8 31.15 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.76 -170.56 51.21 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 119.306 0.957 . . . . 0.0 113.282 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -57.61 158.06 6.43 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.723 1.209 . . . . 0.0 110.542 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -151.43 164.37 36.88 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.091 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.6 p -134.36 172.77 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.841 1.656 . . . . 0.0 107.528 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.61 153.2 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.284 1.034 . . . . 0.0 108.868 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 116.19 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.4 t -83.55 111.03 19.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.554 1.542 . . . . 0.0 108.767 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.78 173.72 10.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.735 1.214 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.42 36.22 19.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.986 1.714 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 67.44 21.84 9.53 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.24 2.216 . . . . 0.0 111.101 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.14 -1.9 63.16 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.418 1.485 . . . . 0.0 111.612 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -81.34 -9.76 59.68 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.541 1.671 . . . . 0.0 111.885 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.5 m -134.46 121.18 20.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.22 127.28 54.88 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.832 1.653 . . . . 0.0 107.55 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -108.73 99.19 8.58 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.9 mt -95.89 132.88 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.745 1.618 . . . . 0.0 107.063 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -131.03 136.18 48.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.53 150.04 24.96 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.357 1.063 . . . . 0.0 110.394 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.44 -13.32 18.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.443 1.497 . . . . 0.0 113.855 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -178.232 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.69 167.57 12.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.559 1.144 . . . . 0.0 108.017 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 m -132.91 101.29 5.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.5 124.85 48.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.497 1.119 . . . . 0.0 108.194 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -91.64 140.03 30.12 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.29 111.7 17.69 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -86.8 120.63 28.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -113.06 117.73 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.13 114.19 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -79.84 147.75 31.63 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.842 0.829 . . . . 0.0 110.343 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -22.47 61.7 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.695 1.198 . . . . 0.0 108.9 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -66.13 -23.63 66.52 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.129 0.571 . . . . 0.0 111.328 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.58 -17.73 7.31 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 125.334 1.445 . . . . 0.0 113.484 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -85.05 172.09 11.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.119 1.459 . . . . 0.0 113.095 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -136.09 156.76 48.24 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.289 1.436 . . . . 0.0 108.831 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -151.55 146.51 25.92 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.535 1.934 . . . . 0.0 107.241 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -123.16 138.61 54.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.21 156.14 49.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.606 1.563 . . . . 0.0 107.276 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -134.96 132.8 38.82 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -118.5 130.24 55.82 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 125.265 1.426 . . . . 0.0 109.068 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -114.78 157.56 23.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.918 1.287 . . . . 0.0 108.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.7 -165.04 21.68 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 p -70.98 170.42 12.81 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.116 0.958 . . . . 0.0 108.558 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -55.99 -47.73 77.18 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.189 -0.319 . . . . 0.0 110.514 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.91 -44.92 96.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.615 1.166 . . . . 0.0 111.226 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.2 -63.87 1.11 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.854 1.262 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.87 63.29 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.963 0.905 . . . . 0.0 111.729 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -53.42 51.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.034 0.533 . . . . 0.0 110.572 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -62.8 -36.5 83.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.846 0.458 . . . . 0.0 111.812 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -69.68 -36.26 75.84 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.76 -0.587 . . . . 0.0 110.61 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.32 97.22 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.03 0.377 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.79 -31.67 65.03 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.306 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.86 84.07 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.94 -37.31 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.347 0.659 . . . . 0.0 110.734 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.75 51.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.29 -36.73 78.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.063 0.945 . . . . 0.0 112.055 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.5 t -71.24 -8.56 54.44 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.047 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.7 mt -108.63 -17.82 13.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.28 1.832 . . . . 0.0 109.574 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -59.55 -21.27 60.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.749 2.02 . . . . 0.0 112.596 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -73.09 -32.56 65.06 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.73 1.15 . . . . 0.0 112.02 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -101.85 -19.89 15.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.866 0.757 . . . . 0.0 112.567 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -102.01 -15.82 16.66 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.28 -176.52 46.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.09 165.8 1.78 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.532 1.158 . . . . 0.0 112.111 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -142.42 163.55 32.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.541 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -121.26 157.67 29.79 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.2 143.4 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -120.79 141.31 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.956 1.302 . . . . 0.0 108.295 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -102.37 111.53 32.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.82 179.6 4.75 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.103 1.761 . . . . 0.0 111.992 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 48.29 51.17 15.42 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.042 1.737 . . . . 0.0 109.878 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 56.38 10.33 0.65 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.137 1.775 . . . . 0.0 114.142 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.58 -9.4 12.98 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.291 1.9 . . . . 0.0 113.155 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.63 -7.5 59.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.193 1.497 . . . . 0.0 113.465 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -135.48 129.96 33.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 120.357 1.435 . . . . 0.0 109.199 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.7 131.26 56.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.945 1.698 . . . . 0.0 106.916 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -110.81 91.87 3.83 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.1 mt -90.21 127.23 42.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 125.864 1.666 . . . . 0.0 108.904 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -128.84 122.12 29.75 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.279 1.032 . . . . 0.0 110.22 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -79.84 153.19 29.26 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.6 0.55 11.01 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.835 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.241 0.633 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 m -148.86 175.01 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 127.521 2.328 . . . . 0.0 107.227 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -127.33 103.8 7.58 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 109.348 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.01 121.21 39.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 124.888 1.275 . . . . 0.0 108.311 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -96.96 127.05 42.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.86 111.61 23.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -87.5 113.06 22.86 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 104.392 -2.447 . . . . 0.0 104.392 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.07 103.73 13.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.805 0.73 . . . . 0.0 110.13 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.35 123.01 44.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -89.69 151.82 21.67 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 124.27 1.028 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.39 64.73 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.446 1.098 . . . . 0.0 110.654 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -73.99 9.97 1.36 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.996 1.719 . . . . 0.0 112.098 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.33 18.08 79.15 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.22 -1.55 . . . . 0.0 109.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -111.96 174.92 5.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.909 1.683 . . . . 0.0 109.184 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -148.48 157.71 43.65 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.413 -0.804 . . . . 0.0 111.885 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -151.85 146.19 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.839 2.056 . . . . 0.0 106.081 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -134.33 138.5 44.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.513 1.051 . . . . 0.0 108.262 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.47 154.25 40.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.612 1.565 . . . . 0.0 106.985 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.75 108.46 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -95.85 152.03 18.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.531 1.132 . . . . 0.0 109.334 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -131.51 147.0 52.5 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.666 0.786 . . . . 0.0 108.897 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -160.66 26.67 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 107.431 -2.267 . . . . 0.0 107.431 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -65.37 159.56 23.83 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -51.69 -51.61 54.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.944 0.898 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -68.89 -40.17 79.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.615 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.05 -50.23 74.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.05 86.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.536 0.734 . . . . 0.0 111.477 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -60.56 -42.81 97.35 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -63.24 -35.57 80.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.128 0.571 . . . . 0.0 110.211 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.8 -42.14 82.06 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.374 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.05 -40.83 86.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.629 0.65 . . . . 0.0 110.869 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.15 -31.28 64.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.316 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.94 72.09 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -60.1 -46.51 89.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.06 1.344 . . . . 0.0 108.585 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.03 92.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.238 -0.914 . . . . 0.0 109.935 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.47 -34.84 79.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.712 -1.243 . . . . 0.0 110.965 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -16.27 43.81 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.918 1.287 . . . . 0.0 111.348 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -111.6 -8.28 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.867 1.667 . . . . 0.0 112.814 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -77.57 66.59 3.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.058 2.943 . . . . 0.0 106.567 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -155.97 -81.36 0.07 Allowed 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 102.941 -2.985 . . . . 0.0 102.941 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.17 -10.41 59.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -113.32 -17.28 12.33 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.273 -0.87 . . . . 0.0 113.047 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 -163.25 33.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.442 1.019 . . . . 0.0 111.273 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.14 168.66 11.69 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.724 0.773 . . . . 0.0 111.099 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -145.41 161.36 39.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.411 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -128.05 148.58 50.56 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 127.182 2.193 . . . . 0.0 105.909 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.1 150.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.082 0.953 . . . . 0.0 109.964 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -127.17 122.24 33.56 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.966 1.706 . . . . 0.0 107.506 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.09 103.14 9.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.99 169.14 10.77 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.095 0.958 . . . . 0.0 112.533 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 t0 48.62 56.29 7.8 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.389 1.876 . . . . 0.0 111.238 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 58.36 17.72 4.98 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.777 1.231 . . . . 0.0 111.397 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.82 4.82 60.17 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.766 1.65 . . . . 0.0 112.016 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -82.13 -22.01 36.38 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.364 1.582 . . . . 0.0 110.389 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.4 m -121.53 122.04 38.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.6 mt -109.48 110.45 21.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.4 107.27 19.09 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.65 138.69 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.803 0.841 . . . . 0.0 109.08 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.07 136.44 48.44 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.847 1.659 . . . . 0.0 109.541 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -98.18 154.04 18.04 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.418 1.008 . . . . 0.0 108.768 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 -19.09 15.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.668 0.787 . . . . 0.0 112.514 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--O 1.238 0.498 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 m -119.36 174.86 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.265 1.426 . . . . 0.0 108.871 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.2 m -136.9 107.55 6.56 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 126.26 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -91.91 128.93 37.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.46 21.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -93.02 123.65 36.42 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.36 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 125.613 1.565 . . . . 0.0 107.448 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.6 105.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -75.09 151.97 38.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -80.85 -6.41 58.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.274 1.029 . . . . 0.0 112.989 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.74 -23.81 16.49 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.721 -1.044 . . . . 0.0 112.298 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 m -61.02 154.0 23.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.623 1.211 . . . . 0.0 109.236 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -141.58 130.99 23.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -138.91 145.47 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -134.35 139.78 45.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.019 0.827 . . . . 0.0 110.796 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.95 161.15 27.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.906 2.082 . . . . 0.0 107.699 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -134.28 109.3 8.74 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -97.1 151.6 19.61 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -131.17 167.49 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 111.509 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.4 -159.73 14.2 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 161.3 20.02 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.04 -53.23 28.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.251 1.42 . . . . 0.0 110.727 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -64.99 -30.36 71.35 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.53 -61.7 1.71 Allowed 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.362 0.665 . . . . 0.0 109.572 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -30.88 64.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.327 0.392 . . . . 0.0 111.398 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -68.56 -48.83 63.23 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -60.77 -35.77 77.26 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.289 0.636 . . . . 0.0 111.054 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.86 -41.94 99.56 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.919 0.781 . . . . 0.0 110.511 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.8 98.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 117.796 0.271 . . . . 0.0 111.008 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -72.48 -31.05 65.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.996 0.362 . . . . 0.0 110.244 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.31 81.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.312 1.045 . . . . 0.0 109.731 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -67.57 -41.19 84.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.652 1.181 . . . . 0.0 110.109 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.38 83.91 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.725 0.81 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.77 -36.66 84.62 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.226 -0.921 . . . . 0.0 112.764 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -74.25 0.93 12.62 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.62 -6.71 9.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.0 1.32 . . . . 0.0 111.328 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.39 -23.82 51.63 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.202 1.801 . . . . 0.0 113.253 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.73 -64.83 0.81 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.946 0.794 . . . . 0.0 110.556 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.07 -16.64 56.48 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 126.119 1.768 . . . . 0.0 114.818 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -110.24 -12.29 14.47 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.79 -178.0 52.3 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.62 165.77 6.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.548 0.69 . . . . 0.0 110.742 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -148.66 167.39 25.61 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -138.13 145.67 41.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.492 1.517 . . . . 0.0 108.571 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.5 t -117.48 151.45 19.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.14 140.59 52.44 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.689 1.596 . . . . 0.0 107.659 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.94 102.9 13.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 125.643 1.577 . . . . 0.0 109.845 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.19 164.23 14.79 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.035 0.934 . . . . 0.0 108.885 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.84 52.05 14.83 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.092 1.357 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 59.7 4.29 0.54 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 114.06 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.23 -16.58 8.64 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.265 2.364 . . . . 0.0 111.292 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -67.5 -9.47 42.5 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.189 1.495 . . . . 0.0 112.888 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.0 m -132.29 124.72 29.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.42 111.0 20.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -90.25 100.03 12.94 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mt -92.52 129.53 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -130.2 134.38 47.23 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.642 1.177 . . . . 0.0 108.816 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.34 156.11 16.59 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.23 -9.05 16.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.063 1.345 . . . . 0.0 112.956 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.427 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.236 0.369 0 N-CA-C 110.679 -0.119 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -127.73 174.68 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.507 1.523 . . . . 0.0 111.541 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -127.34 133.88 50.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.35 120.03 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.552 1.941 . . . . 0.0 108.256 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -91.57 123.23 34.82 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.255 2.222 . . . . 0.0 110.392 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.05 115.05 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 119.667 1.121 . . . . 0.0 110.086 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -87.47 110.72 20.51 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.24 115.17 27.82 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -113.37 99.65 9.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.97 150.32 35.9 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 123.304 0.641 . . . . 0.0 110.286 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.07 -12.1 61.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.333 1.053 . . . . 0.0 112.303 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -75.92 -22.28 56.19 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.353 -0.842 . . . . 0.0 111.039 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.76 -22.69 9.84 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.657 1.599 . . . . 0.0 109.765 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -67.9 154.89 40.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.45 1.9 . . . . 0.0 109.641 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -136.93 159.73 41.01 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.608 -0.683 . . . . 0.0 110.083 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -152.59 146.45 25.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.843 1.657 . . . . 0.0 107.467 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -126.75 138.72 53.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.81 155.0 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.893 1.677 . . . . 0.0 107.578 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.69 109.16 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.26 153.16 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -131.27 161.89 31.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.684 0.794 . . . . 0.0 110.883 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.05 -160.05 22.81 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -65.3 164.99 12.41 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -53.91 -45.94 71.31 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.68 -52.82 55.19 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.687 -0.673 . . . . 0.0 111.17 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.77 -58.59 6.39 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.747 0.819 . . . . 0.0 111.814 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -34.8 70.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.68 0.392 . . . . 0.0 111.586 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.6 m -68.81 -50.12 52.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -61.05 -35.62 77.4 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.56 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -68.04 -43.16 79.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 109.734 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.67 96.13 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.111 -0.368 . . . . 0.0 110.68 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -73.65 -31.53 63.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.337 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.17 90.03 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.33 1.052 . . . . 0.0 109.192 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -65.1 -45.28 85.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.927 -0.483 . . . . 0.0 110.074 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.27 69.34 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.133 -0.98 . . . . 0.0 111.878 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.72 -36.32 83.91 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.454 -0.779 . . . . 0.0 112.443 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -70.85 -37.04 73.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.656 1.116 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.38 -26.23 66.35 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.7 0.8 . . . . 0.0 112.641 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.02 -27.06 29.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.011 1.324 . . . . 0.0 113.836 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.17 -62.39 1.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.107 0.867 . . . . 0.0 113.145 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.36 -23.62 37.59 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -92.09 -25.8 18.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 116.689 -1.624 . . . . 0.0 114.582 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.2 -176.86 25.93 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.99 1.757 . . . . 0.0 111.524 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.18 158.52 19.75 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 122.214 1.007 . . . . 0.0 111.049 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -132.01 174.99 9.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.057 0.932 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.8 p -137.46 161.96 34.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.23 2.612 . . . . 0.0 105.726 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.09 155.17 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 111.76 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -141.89 142.47 33.08 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 127.602 2.361 . . . . 0.0 106.3 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.17 134.52 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.026 1.33 . . . . 0.0 109.461 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.87 -176.6 4.73 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.699 2.0 . . . . 0.0 109.336 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 52.14 41.66 30.2 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.809 2.044 . . . . 0.0 112.001 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 63.86 17.67 10.67 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.047 1.739 . . . . 0.0 112.627 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.67 29.17 6.0 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.4 -8.75 9.57 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.252 1.026 . . . . 0.0 111.054 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -128.27 120.67 27.59 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -117.9 132.18 56.45 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.506 1.922 . . . . 0.0 107.859 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -113.71 117.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.21 107.2 20.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -110.96 136.28 50.2 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.486 0.714 . . . . 0.0 109.238 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -93.72 151.69 19.47 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.986 1.714 . . . . 0.0 108.568 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.79 3.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.376 0 C-N-CA 127.487 2.47 . . . . 0.0 110.335 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 121.445 0.641 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.49 174.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 128.246 2.618 . . . . 0.0 107.845 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -129.5 124.55 34.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mt -115.73 126.25 73.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -98.35 138.87 34.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.51 116.31 25.82 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.37 1.068 . . . . 0.0 108.779 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -89.07 111.45 22.19 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 103.108 -2.923 . . . . 0.0 103.108 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.07 127.5 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.33 104.98 14.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -85.23 146.76 26.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -19.43 64.59 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -63.0 -21.74 66.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 111.184 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.67 -39.89 2.49 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.818 1.199 . . . . 0.0 112.537 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -71.24 163.55 27.42 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.037 1.418 . . . . 0.0 110.905 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -126.07 161.8 26.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.648 2.379 . . . . 0.0 106.69 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -152.71 146.24 24.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.737 0.815 . . . . 0.0 108.865 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -118.36 138.23 52.56 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.58 143.37 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -133.22 114.39 13.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -112.15 154.85 24.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.734 1.214 . . . . 0.0 110.332 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -131.25 167.15 19.69 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.924 0.89 . . . . 0.0 110.837 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.98 -166.19 19.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 125.575 1.56 . . . . 0.0 109.528 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.2 p -65.2 170.43 4.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.086 1.443 . . . . 0.0 108.459 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.7 -54.99 25.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.833 0.453 . . . . 0.0 111.089 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.7 -31.51 72.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 111.685 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -56.94 12.85 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.218 0.607 . . . . 0.0 109.784 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.98 79.13 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.98 0.512 . . . . 0.0 110.281 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -62.38 -52.55 63.17 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -58.9 -36.54 74.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.05 -44.91 62.6 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 119.479 1.036 . . . . 0.0 110.598 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.36 97.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.248 0.476 . . . . 0.0 110.493 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -73.69 -31.62 63.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.187 -0.435 . . . . 0.0 110.677 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.97 75.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.185 0.902 . . . . 0.0 108.672 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -66.1 -30.02 70.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.185 0.594 . . . . 0.0 110.422 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.26 -36.03 61.31 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.488 -1.383 . . . . 0.0 109.134 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.23 -36.26 81.45 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.44 1.096 . . . . 0.0 112.241 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -71.77 -6.67 43.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.334 -0.854 . . . . 0.0 112.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -114.05 -4.99 13.12 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.021 1.328 . . . . 0.0 111.557 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -59.58 -30.89 68.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.471 1.908 . . . . 0.0 113.483 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.32 -58.24 5.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 120.101 1.319 . . . . 0.0 112.154 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.54 -17.33 60.11 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -114.19 -15.09 12.25 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.48 -172.41 33.01 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -65.48 164.2 14.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -142.59 143.71 32.55 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.82 -0.55 . . . . 0.0 109.846 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 p -93.59 168.54 10.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.279 14.6 p -147.25 126.95 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 O-C-N 121.56 -0.712 . . . . 0.0 109.112 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -121.65 133.67 54.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.73 1.212 . . . . 0.0 108.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.75 134.59 26.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.324 1.05 . . . . 0.0 112.275 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.32 173.22 11.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.596 1.558 . . . . 0.0 108.744 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 43.71 52.11 6.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.883 2.073 . . . . 0.0 112.53 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.88 18.41 3.84 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.843 1.257 . . . . 0.0 114.125 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.42 -2.69 32.71 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.218 1.39 . . . . 0.0 112.266 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.05 -3.04 57.53 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.168 1.484 . . . . 0.0 111.656 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.8 m -134.2 142.06 47.26 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.7 131.16 51.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.48 1.512 . . . . 0.0 110.272 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -101.31 112.45 24.97 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 103.915 -2.624 . . . . 0.0 103.915 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.23 102.37 13.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -102.67 123.8 47.03 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.995 1.318 . . . . 0.0 107.481 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -82.98 137.36 34.19 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.33 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.292 1.037 . . . . 0.0 112.724 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.91 -2.076 . . . . 0.0 107.91 -179.038 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.69 174.92 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 127.516 2.326 . . . . 0.0 108.783 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -128.18 108.57 10.74 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -93.56 125.53 46.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -94.24 133.17 38.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.68 118.85 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.973 0.351 . . . . 0.0 111.719 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -86.0 122.84 30.61 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 126.082 1.753 . . . . 0.0 107.191 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.21 134.84 51.24 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.4 124.55 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.99 159.1 16.81 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.826 0.851 . . . . 0.0 111.038 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.49 15.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.789 1.636 . . . . 0.0 112.789 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -95.67 4.51 52.97 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.347 1.859 . . . . 0.0 107.863 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.71 -13.05 38.07 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 120.03 -1.669 . . . . 0.0 112.782 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 m -70.79 156.51 39.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.972 0.886 . . . . 0.0 109.704 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -138.46 150.56 46.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.798 1.239 . . . . 0.0 108.403 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -152.31 146.41 25.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.419 1.088 . . . . 0.0 108.717 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 133.09 55.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.083 1.31 . . . . 0.0 108.988 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.14 166.62 11.63 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.003 1.721 . . . . 0.0 110.19 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -143.39 126.18 16.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.433 1.893 . . . . 0.0 107.434 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -123.54 129.13 50.74 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -110.28 142.82 41.36 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.18 -164.77 30.61 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 107.729 -2.149 . . . . 0.0 107.729 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.9 p -70.84 165.11 23.9 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.24 -48.29 79.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.574 -0.704 . . . . 0.0 110.637 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.67 -26.21 66.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.489 0.716 . . . . 0.0 112.402 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.42 -56.15 4.39 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.091 0.86 . . . . 0.0 109.147 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.18 -36.47 68.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.257 1.023 . . . . 0.0 111.509 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -64.37 -47.0 80.91 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -64.27 -35.69 81.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.499 0.72 . . . . 0.0 110.676 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.1 -35.27 80.2 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.812 -0.555 . . . . 0.0 111.293 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.94 96.74 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -72.82 -30.43 64.04 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.014 0.526 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.69 -51.9 55.74 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 108.75 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.72 -45.1 90.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.131 1.373 . . . . 0.0 109.322 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.84 78.73 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.234 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.32 -36.88 79.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.437 1.017 . . . . 0.0 109.863 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -10.23 24.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.261 1.024 . . . . 0.0 111.782 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.3 mt -118.3 -8.98 10.5 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.584 1.954 . . . . 0.0 111.121 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -60.49 -25.92 66.42 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.198 1.399 . . . . 0.0 114.439 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -61.23 1.84 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.242 0.928 . . . . 0.0 109.585 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.01 -21.53 56.78 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -107.63 -10.24 15.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.902 0.774 . . . . 0.0 112.678 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.24 -177.34 42.63 Favored Glycine 0 C--N 1.332 0.353 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.58 164.79 7.09 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.6 p-90 -149.81 166.54 29.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.318 0.58 . . . . 0.0 111.832 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -140.13 159.94 41.07 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.978 2.111 . . . . 0.0 105.339 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.82 150.49 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.248 0.547 . . . . 0.0 111.059 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -127.38 132.33 50.18 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.023 2.529 . . . . 0.0 104.302 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.4 133.7 34.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 123.802 0.841 . . . . 0.0 109.318 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.43 164.95 26.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.895 1.278 . . . . 0.0 109.56 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 45.43 48.92 10.69 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.986 1.714 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 63.03 -0.9 0.55 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.941 2.097 . . . . 0.0 114.625 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.2 -9.99 6.97 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 127.678 2.561 . . . . 0.0 111.314 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -68.24 -12.85 61.68 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.939 1.869 . . . . 0.0 110.646 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.4 m -131.43 130.09 42.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.54 131.98 54.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 124.355 1.062 . . . . 0.0 108.67 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -108.61 106.67 16.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mt -110.51 108.89 26.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.0 135.78 47.98 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -104.24 123.94 48.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.867 1.267 . . . . 0.0 108.863 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.82 -22.7 63.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 125.0 1.32 . . . . 0.0 112.606 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 C--O 1.239 0.55 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.86 169.87 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.792 1.237 . . . . 0.0 108.148 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -132.81 103.7 6.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mt -90.83 121.67 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -90.49 93.7 9.41 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.51 109.87 20.41 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -91.82 131.18 37.36 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.95 129.57 54.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.34 106.72 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -71.73 159.15 34.85 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.02 -10.59 57.76 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -87.1 36.8 0.74 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.284 1.434 . . . . 0.0 112.151 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.74 22.76 Favored Glycine 0 C--N 1.342 0.869 0 C-N-CA 125.497 1.522 . . . . 0.0 113.91 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p -155.62 160.46 40.46 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -133.2 167.45 20.34 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.532 0.682 . . . . 0.0 110.53 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.84 146.18 25.49 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.695 1.998 . . . . 0.0 106.034 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -134.04 129.08 35.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.693 -2.336 . . . . 0.0 104.693 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.9 129.44 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 126.493 1.917 . . . . 0.0 110.599 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -104.01 109.59 21.43 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -89.05 138.72 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -124.14 157.32 34.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.049 0.94 . . . . 0.0 110.367 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.15 -160.27 18.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 155.0 38.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.03 -47.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.419 0.688 . . . . 0.0 112.025 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.6 -43.26 97.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.564 0.746 . . . . 0.0 110.7 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.92 -65.66 0.65 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.634 1.174 . . . . 0.0 109.337 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.83 39.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.702 1.201 . . . . 0.0 112.683 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.0 m -66.35 -50.58 63.08 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -61.45 -35.86 78.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.317 0.647 . . . . 0.0 110.952 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.4 -41.57 76.24 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.867 0.867 . . . . 0.0 110.003 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.12 81.71 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -73.08 -29.01 62.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.627 0.771 . . . . 0.0 110.509 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.12 27.32 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.142 -0.974 . . . . 0.0 108.679 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.53 -41.22 89.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.111 0.564 . . . . 0.0 110.785 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.19 76.55 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.029 -0.419 . . . . 0.0 109.921 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -69.39 -36.05 76.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.056 0.543 . . . . 0.0 110.67 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -23.94 66.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.491 -0.755 . . . . 0.0 111.727 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.9 mt -101.97 -11.47 18.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.413 1.085 . . . . 0.0 111.923 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -58.03 -20.05 35.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 127.346 2.258 . . . . 0.0 114.452 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -59.43 -57.85 11.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.795 0.725 . . . . 0.0 109.544 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -90.87 -31.4 16.44 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.684 1.594 . . . . 0.0 113.406 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.46 -5.87 57.99 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.28 -175.57 42.62 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 123.86 0.743 . . . . 0.0 113.012 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -64.87 166.76 8.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.226 1.013 . . . . 0.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -147.51 168.23 22.45 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.456 1.102 . . . . 0.0 110.707 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 p -136.94 163.7 30.08 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.53 130.91 24.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 119.161 0.892 . . . . 0.0 112.568 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -100.14 111.18 23.47 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.883 -2.265 . . . . 0.0 104.883 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -82.25 125.81 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.87 173.58 11.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.999 0.92 . . . . 0.0 111.488 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 44.53 64.6 1.29 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.332 2.253 . . . . 0.0 112.343 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 59.28 15.81 4.54 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.505 1.522 . . . . 0.0 112.079 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.04 1.25 82.32 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.602 2.048 . . . . 0.0 110.886 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -75.5 -10.12 59.17 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.238 1.519 . . . . 0.0 111.013 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.4 m -132.68 126.36 32.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.05 131.16 57.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -110.08 91.31 3.6 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.84 115.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 125.291 1.437 . . . . 0.0 107.538 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.68 120.94 38.93 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -83.29 141.52 31.77 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.929 -1.487 . . . . 0.0 107.63 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 -13.84 20.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.709 1.204 . . . . 0.0 111.672 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.029 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 N--CA 1.441 -0.879 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 174.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.799 1.639 . . . . 0.0 109.275 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -131.95 134.02 45.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mt -121.22 124.71 72.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 97.48 10.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.47 1.508 . . . . 0.0 110.188 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.94 126.36 34.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.717 0.77 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -101.38 131.42 47.47 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.24 114.91 20.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.61 133.96 57.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.426 -2.065 . . . . 0.0 105.426 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -117.3 149.48 40.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.753 0.421 . . . . 0.0 110.814 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.42 -25.55 64.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.369 1.068 . . . . 0.0 110.332 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -53.18 -32.92 50.36 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.945 1.298 . . . . 0.0 111.431 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.71 -27.09 6.65 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.06 169.62 17.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.747 1.261 . . . . 0.0 110.439 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 p -137.43 159.98 40.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.025 2.13 . . . . 0.0 108.326 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -146.26 145.09 30.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.65 1.18 . . . . 0.0 108.296 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -118.2 139.35 51.42 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.301 1.04 . . . . 0.0 111.182 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.15 152.69 48.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.245 1.418 . . . . 0.0 108.61 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -143.99 109.8 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 127.033 2.133 . . . . 0.0 105.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.71 146.43 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -130.2 149.57 51.84 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 110.833 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.23 -161.21 23.56 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -62.15 151.0 37.08 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.84 -45.68 78.33 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.38 -44.23 84.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.006 0.922 . . . . 0.0 111.011 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -66.52 -59.32 3.75 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.506 1.123 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.41 -37.72 57.33 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.991 0.916 . . . . 0.0 111.989 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -60.7 -53.03 62.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.765 -0.584 . . . . 0.0 109.909 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -62.11 -35.69 79.47 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.522 1.055 . . . . 0.0 112.407 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.51 -41.74 94.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.607 0.64 . . . . 0.0 111.126 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.5 84.52 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 119.027 -0.511 . . . . 0.0 110.864 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -72.92 -31.2 64.47 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.253 0.933 . . . . 0.0 109.421 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.62 74.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.8 -45.63 67.49 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.83 -36.63 82.8 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.181 -0.949 . . . . 0.0 112.208 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.4 t -68.89 -21.07 64.26 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.103 0.865 . . . . 0.0 111.499 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.96 -0.31 27.06 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.294 -0.879 . . . . 0.0 113.092 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -64.66 -38.43 90.97 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.725 1.148 . . . . 0.0 112.701 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -79.43 -28.95 41.69 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.393 1.452 . . . . 0.0 109.264 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.26 -26.26 52.3 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 125.007 1.323 . . . . 0.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -130.74 -4.79 4.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.36 178.91 34.12 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 119.437 1.017 . . . . 0.0 113.219 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 157.64 17.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 122.189 0.995 . . . . 0.0 109.966 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -134.39 168.55 18.71 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 123.211 1.481 . . . . 0.0 111.544 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.46 152.59 43.14 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 130.214 3.406 . . . . 0.0 105.188 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.27 138.44 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -120.66 141.14 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.076 1.351 . . . . 0.0 108.022 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.69 102.65 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 126.816 2.046 . . . . 0.0 106.428 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.07 172.73 6.98 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.6 1.56 . . . . 0.0 110.635 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t0 43.28 57.62 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 129.062 2.945 . . . . 0.0 113.593 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 61.24 3.05 0.67 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.589 1.156 . . . . 0.0 112.964 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.84 -10.02 10.39 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 128.617 3.008 . . . . 0.0 110.944 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.25 -7.28 59.54 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.866 1.833 . . . . 0.0 114.858 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.9 m -123.96 131.04 53.51 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.69 131.34 56.15 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -115.74 91.85 3.73 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.03 105.16 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.536 1.534 . . . . 0.0 108.017 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -111.52 123.84 51.04 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.723 1.209 . . . . 0.0 109.163 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -92.02 163.0 14.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.184 1.394 . . . . 0.0 110.693 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.52 -19.44 12.12 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.125 0 N-CA-C 107.612 -2.195 . . . . 0.0 107.612 -178.338 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.36 166.15 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 121.302 -0.874 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -128.5 96.8 4.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.943 -2.244 . . . . 0.0 104.943 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 mt -89.95 118.54 35.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -91.02 126.3 36.06 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.91 111.22 23.23 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -91.22 119.52 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.65 123.73 50.96 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 122.223 1.011 . . . . 0.0 109.752 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.99 113.3 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 127.67 2.388 . . . . 0.0 108.005 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.42 157.13 19.9 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.383 0.611 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -14.42 61.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.51 0.724 . . . . 0.0 111.433 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -91.42 7.18 42.38 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.108 1.763 . . . . 0.0 111.369 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.02 -20.6 28.18 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.354 0.978 . . . . 0.0 113.669 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -64.34 161.83 16.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.62 1.71 . . . . 0.0 110.211 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -144.23 129.35 18.64 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 121.185 -0.947 . . . . 0.0 109.753 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -127.35 145.05 50.94 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -123.21 138.17 54.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.52 49.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -129.9 118.97 22.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -113.89 140.36 48.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.939 1.696 . . . . 0.0 107.893 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -124.43 152.0 43.82 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.977 1.711 . . . . 0.0 108.455 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.08 -155.0 21.43 Favored Glycine 0 C--O 1.237 0.309 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.14 161.67 13.08 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -57.92 -54.67 44.29 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.857 -0.527 . . . . 0.0 109.893 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.21 -31.03 69.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.78 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.17 -55.63 30.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.292 0.951 . . . . 0.0 108.507 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.89 87.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.572 0.749 . . . . 0.0 110.069 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.6 m -59.95 -54.18 49.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.307 0.643 . . . . 0.0 109.475 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -33.1 72.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 111.594 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.58 -39.81 92.04 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.769 0.713 . . . . 0.0 110.219 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.36 93.76 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.75 -0.594 . . . . 0.0 110.097 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.05 -29.06 62.69 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -55.31 17.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.65 -46.77 77.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.744 1.218 . . . . 0.0 110.193 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.48 78.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.558 -0.714 . . . . 0.0 111.628 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.78 -34.02 73.19 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.866 -1.146 . . . . 0.0 109.868 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -5.57 12.55 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.049 1.34 . . . . 0.0 112.175 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -122.13 -14.02 8.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.481 1.512 . . . . 0.0 111.396 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.15 -25.26 58.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.517 1.527 . . . . 0.0 113.6 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.46 -61.34 2.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 120.721 1.6 . . . . 0.0 111.035 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.92 -25.43 37.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -89.21 -18.13 27.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.435 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.81 -179.22 44.23 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.887 1.232 . . . . 0.0 111.755 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.16 164.73 4.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 122.669 1.223 . . . . 0.0 111.748 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -144.66 170.48 16.0 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.119 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -132.85 172.66 12.3 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.86 155.78 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.99 141.19 48.16 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.0 t -103.2 134.27 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 125.924 1.69 . . . . 0.0 109.585 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.0 170.7 15.38 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.624 1.569 . . . . 0.0 107.975 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.86 43.74 25.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.869 1.668 . . . . 0.0 110.215 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 60.04 2.44 0.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.15 1.78 . . . . 0.0 113.331 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.43 -13.13 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.779 2.133 . . . . 0.0 111.818 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -76.02 -3.42 35.68 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.641 1.72 . . . . 0.0 113.175 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -133.29 133.84 43.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.49 131.43 52.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.77 120.68 40.09 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 mt -118.77 130.82 73.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.547 1.139 . . . . 0.0 108.056 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -123.63 120.39 32.64 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.19 0.596 . . . . 0.0 109.752 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -81.8 117.7 22.3 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 -10.15 59.75 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-N 119.641 1.11 . . . . 0.0 112.381 -179.567 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 C--O 1.237 0.4 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.16 174.38 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 108.28 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -139.23 111.2 7.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.419 1.888 . . . . 0.0 106.991 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.73 132.09 54.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -99.99 140.88 33.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.27 117.99 28.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -85.51 125.75 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 102.735 -3.061 . . . . 0.0 102.735 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 104.35 12.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -100.31 126.79 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -111.37 142.24 43.86 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.44 65.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.061 1.344 . . . . 0.0 111.63 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.71 -5.26 23.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.887 0.875 . . . . 0.0 110.816 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.76 8.86 69.28 Favored Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.755 -1.215 . . . . 0.0 111.784 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -97.92 161.56 13.68 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.32 1.048 . . . . 0.0 108.538 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.3 p -143.63 158.03 43.97 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.607 -0.683 . . . . 0.0 110.339 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -152.09 148.02 27.17 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.125 1.77 . . . . 0.0 106.755 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -134.38 138.86 45.18 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 119.68 -1.888 . . . . 0.0 107.418 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.67 159.01 43.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.015 0.926 . . . . 0.0 110.16 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -126.79 147.84 49.98 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -135.98 138.91 42.75 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -121.64 156.98 31.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.51 0.724 . . . . 0.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.55 -148.09 19.47 Favored Glycine 0 C--N 1.329 0.188 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -75.03 166.54 23.5 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.11 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.59 -47.1 87.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.004 1.322 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.22 -54.37 41.79 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.68 -30.49 63.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.112 0.565 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -71.23 -55.6 7.77 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.488 -1.382 . . . . 0.0 109.329 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -36.0 81.54 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -29.6 68.93 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.088 1.313 . . . . 0.0 109.408 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.8 81.81 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -73.25 -31.96 64.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.88 81.69 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.81 -45.79 89.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.16 0.984 . . . . 0.0 109.128 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.81 69.96 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.96 -1.088 . . . . 0.0 111.663 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -62.9 -36.68 84.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 125.069 1.348 . . . . 0.0 113.394 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -33.41 75.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.139 0.881 . . . . 0.0 110.63 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -85.29 -6.95 59.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.695 1.198 . . . . 0.0 112.804 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -65.28 -7.08 11.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.846 1.658 . . . . 0.0 114.011 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -60.99 2.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 120.446 1.476 . . . . 0.0 109.392 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.22 -16.41 59.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.627 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -111.73 -11.8 13.93 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.995 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.91 -167.37 54.68 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -57.63 162.18 3.19 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.696 1.236 . . . . 0.0 112.141 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -150.88 167.66 26.84 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.647 1.579 . . . . 0.0 107.862 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.5 p -141.52 154.3 45.41 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.33 122.48 51.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 118.105 0.412 . . . . 0.0 110.356 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.4 141.7 30.17 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -96.53 121.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.971 0.908 . . . . 0.0 109.689 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 172.87 9.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.003 1.321 . . . . 0.0 109.332 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 t0 44.24 59.38 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 127.114 2.166 . . . . 0.0 111.964 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 54.48 12.03 0.49 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.78 13.7 13.69 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 118.279 -1.29 . . . . 0.0 112.031 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -111.47 -6.44 14.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.847 1.824 . . . . 0.0 112.205 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.6 m -129.61 107.22 9.28 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.383 1.073 . . . . 0.0 108.475 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.26 124.45 41.37 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -96.42 91.81 6.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.51 114.42 28.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 119.116 0.871 . . . . 0.0 108.654 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -127.57 132.77 49.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -94.13 154.17 17.73 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.742 1.617 . . . . 0.0 110.333 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.33 -8.05 13.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 O-C-N 121.192 -0.942 . . . . 0.0 113.775 179.169 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.431 0.634 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.73 173.64 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 128.863 2.865 . . . . 0.0 107.214 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -134.5 136.76 43.36 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.06 121.84 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -91.53 132.86 35.99 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.36 131.23 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.63 0.772 . . . . 0.0 109.846 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -104.15 118.93 37.83 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.28 111.32 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.912 1.285 . . . . 0.0 109.168 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.13 129.66 59.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 124.962 1.305 . . . . 0.0 107.56 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -105.02 158.45 16.54 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 123.872 0.869 . . . . 0.0 108.834 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -14.86 63.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.955 0.502 . . . . 0.0 110.188 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -74.22 0.93 12.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.054 1.741 . . . . 0.0 110.62 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.54 -41.93 2.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -59.55 160.17 7.41 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.673 1.189 . . . . 0.0 112.746 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.2 p -136.0 172.21 13.35 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 110.835 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -152.72 146.96 25.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.147 2.179 . . . . 0.0 107.131 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -125.26 138.85 54.1 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.67 163.1 27.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.199 1.399 . . . . 0.0 109.113 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -137.6 109.89 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.485 1.914 . . . . 0.0 106.427 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.78 143.76 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.149 1.38 . . . . 0.0 108.293 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -131.65 148.23 52.58 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.44 1.496 . . . . 0.0 110.731 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.18 -145.7 17.04 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.9 p -89.97 -176.56 4.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 117.756 0.778 . . . . 0.0 109.286 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -56.45 -63.55 1.16 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.364 1.066 . . . . 0.0 111.987 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.65 -34.87 74.93 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -58.28 -67.11 0.38 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.517 1.527 . . . . 0.0 111.592 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.22 95.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 124.515 1.135 . . . . 0.0 112.018 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 m -63.18 -45.48 91.61 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.164 -0.335 . . . . 0.0 110.201 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -67.5 -35.15 78.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.57 -40.15 92.47 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.15 82.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.345 0.52 . . . . 0.0 110.17 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.47 -31.16 63.62 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.471 0.578 . . . . 0.0 110.127 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.68 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 120.945 -1.097 . . . . 0.0 108.937 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -58.27 -46.06 86.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.754 2.022 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.12 -36.31 66.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.903 0.319 . . . . 0.0 110.164 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.78 -30.39 71.42 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.858 -1.151 . . . . 0.0 111.793 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -16.0 63.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.717 1.207 . . . . 0.0 112.162 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.46 -1.62 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 0.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -80.87 56.67 2.8 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 127.374 2.269 . . . . 0.0 110.314 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -152.28 -57.93 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.45 -20.78 53.94 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.725 -0.61 . . . . 0.0 111.941 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -105.9 -39.04 6.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.45 -179.35 16.45 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.38 159.72 23.5 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.434 0.635 . . . . 0.0 109.427 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -139.44 162.44 35.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.663 0.785 . . . . 0.0 110.039 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -127.19 163.45 23.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.18 157.23 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.274 0.559 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -138.67 121.23 16.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.18 130.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.11 174.13 10.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.24 1.016 . . . . 0.0 110.608 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.92 64.25 1.53 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 127.534 2.334 . . . . 0.0 111.449 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 58.5 4.25 0.34 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.433 1.493 . . . . 0.0 113.815 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.29 0.19 29.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 125.811 1.672 . . . . 0.0 112.23 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -87.74 -9.3 54.43 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.598 1.699 . . . . 0.0 112.559 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.6 m -123.41 114.79 20.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -105.88 129.07 54.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.9 110.83 21.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.47 127.18 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 120.526 1.512 . . . . 0.0 108.056 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -131.11 136.41 48.35 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.99 143.41 27.88 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.203 1.001 . . . . 0.0 109.143 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.38 -65.04 1.06 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.876 0.87 . . . . 0.0 109.189 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -131.38 175.88 10.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 C-N-CA 126.76 2.024 . . . . 0.0 111.131 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.47 136.61 52.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.574 1.549 . . . . 0.0 108.572 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mt -125.41 125.27 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.916 1.286 . . . . 0.0 108.192 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -96.42 93.93 7.12 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.649 1.18 . . . . 0.0 109.631 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.71 109.75 19.93 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -84.3 132.06 34.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 127.047 2.139 . . . . 0.0 105.961 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -116.67 114.67 24.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.153 0.981 . . . . 0.0 110.216 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.94 100.46 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.16 159.13 26.12 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.88 -0.513 . . . . 0.0 111.515 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.28 -26.75 63.95 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.53 9.16 1.47 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.825 0.85 . . . . 0.0 111.726 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.18 18.6 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.208 1.861 . . . . 0.0 113.712 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -57.43 153.0 13.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.667 1.587 . . . . 0.0 111.24 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -127.83 139.37 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.727 1.611 . . . . 0.0 109.78 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -152.55 146.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.103 -0.998 . . . . 0.0 109.66 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 m -132.09 138.75 48.25 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.093 -1.076 . . . . 0.0 108.093 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.88 107.95 4.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.582 1.953 . . . . 0.0 108.158 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.75 109.89 21.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -88.13 143.7 26.91 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 124.695 1.198 . . . . 0.0 109.24 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -125.29 147.45 49.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.371 1.068 . . . . 0.0 110.597 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.38 -162.69 22.05 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.297 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 151.65 17.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -55.7 -46.81 77.58 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.091 -0.381 . . . . 0.0 111.796 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -63.5 -46.42 86.18 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.86 -57.11 12.92 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.19 99.3 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.385 0.274 . . . . 0.0 111.607 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.7 m -63.07 -40.65 98.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -65.95 -36.93 84.7 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.199 1.0 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -73.28 -31.38 64.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.67 -0.644 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.51 96.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -73.1 -32.6 65.07 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.845 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.63 68.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.161 0.437 . . . . 0.0 109.842 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -71.3 -40.64 70.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.628 -0.67 . . . . 0.0 109.31 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.44 72.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.582 -0.699 . . . . 0.0 109.145 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.74 -37.14 85.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.865 1.266 . . . . 0.0 112.758 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.97 -14.69 63.19 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.646 1.112 . . . . 0.0 111.106 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.72 -10.81 14.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.483 1.113 . . . . 0.0 112.097 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.54 -44.23 76.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.757 1.223 . . . . 0.0 111.719 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -59.11 -23.14 61.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -117.92 -2.83 11.24 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.808 1.186 . . . . 0.0 114.021 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -127.34 -10.52 5.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.84 0.856 . . . . 0.0 113.037 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.11 38.6 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 125.425 1.488 . . . . 0.0 112.868 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.36 166.69 16.11 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -142.73 160.6 40.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.746 0.818 . . . . 0.0 111.185 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.29 147.97 49.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -121.56 146.47 26.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 123.315 0.646 . . . . 0.0 111.752 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -115.51 124.84 52.09 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.836 -1.912 . . . . 0.0 105.836 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 109.78 17.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.11 162.31 18.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.715 1.206 . . . . 0.0 108.866 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.36 48.23 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 112.436 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.5 24.12 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.427 -0.795 . . . . 0.0 112.122 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.57 -9.05 60.44 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.863 2.173 . . . . 0.0 112.291 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.12 -7.14 50.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.225 2.012 . . . . 0.0 111.033 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.6 m -138.48 132.85 31.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -126.42 123.56 38.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.17 94.44 5.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.9 mt -91.71 112.75 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.83 1.252 . . . . 0.0 107.745 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 135.8 54.47 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.11 147.82 25.48 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.67 1.188 . . . . 0.0 112.035 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.47 -7.76 21.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.657 1.583 . . . . 0.0 112.479 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -178.578 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.09 167.27 26.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.552 1.541 . . . . 0.0 107.495 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.3 m -126.82 108.26 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.76 120.81 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -91.51 134.59 34.52 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.3 136.6 52.99 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.628 1.571 . . . . 0.0 107.649 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -117.48 132.29 56.58 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.789 2.036 . . . . 0.0 107.412 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -117.51 126.34 52.42 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.249 1.42 . . . . 0.0 107.368 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.68 107.81 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -88.01 158.74 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.136 0.974 . . . . 0.0 112.11 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.645 1.178 . . . . 0.0 108.749 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.21 2.95 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.898 2.079 . . . . 0.0 110.807 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.42 -4.49 49.37 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 120.897 -1.127 . . . . 0.0 112.467 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -81.64 160.28 23.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.512 1.525 . . . . 0.0 108.677 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -134.56 156.16 49.16 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -152.28 146.0 25.05 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -130.96 134.78 47.04 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 163.35 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.158 1.383 . . . . 0.0 108.664 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -141.5 132.29 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.5 127.79 45.89 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -111.02 158.28 18.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.935 0.894 . . . . 0.0 109.204 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.62 -149.73 19.11 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 107.489 -2.244 . . . . 0.0 107.489 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 p -77.23 156.71 31.29 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.6 -53.23 32.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.707 1.203 . . . . 0.0 113.639 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.77 -39.02 87.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.009 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -59.43 5.43 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.751 0.82 . . . . 0.0 109.941 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.1 65.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.394 0.678 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -68.38 -43.46 77.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.996 -0.44 . . . . 0.0 110.34 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -35.74 81.42 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.092 -1.005 . . . . 0.0 111.61 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.27 -40.27 95.64 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.908 0.883 . . . . 0.0 109.466 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.2 93.34 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.39 -28.75 62.19 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.845 -0.534 . . . . 0.0 110.785 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.28 21.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.995 1.318 . . . . 0.0 108.755 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.24 -34.87 75.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.7 65.79 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.622 -1.299 . . . . 0.0 110.458 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.47 -36.5 82.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.76 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -68.0 -39.1 83.29 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.459 1.027 . . . . 0.0 109.039 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.81 -26.3 66.0 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.869 0.868 . . . . 0.0 111.05 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.11 -22.84 61.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -60.06 3.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.718 0.69 . . . . 0.0 112.301 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.05 -23.17 21.52 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.96 -20.43 21.38 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.635 0.652 . . . . 0.0 112.602 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.88 -170.77 32.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.46 165.7 3.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.196 0.998 . . . . 0.0 111.298 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -148.6 160.94 42.63 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.931 1.292 . . . . 0.0 109.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 p -124.48 173.3 8.54 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.318 1.847 . . . . 0.0 107.639 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.34 132.29 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.91 127.45 41.95 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.7 t -100.21 117.73 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.55 170.76 15.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.137 1.775 . . . . 0.0 107.699 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.79 34.63 10.47 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.96 1.704 . . . . 0.0 112.292 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 58.39 28.72 17.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.241 1.416 . . . . 0.0 112.173 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.85 69.61 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.037 -1.424 . . . . 0.0 114.339 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.45 -9.2 59.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.531 2.166 . . . . 0.0 113.387 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 m -132.78 113.29 12.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.1 mt -100.6 132.52 45.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -124.73 100.19 6.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -98.54 136.83 27.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -131.88 125.76 32.53 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -81.32 133.52 35.44 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.351 0.596 . . . . 0.0 111.393 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.46 -21.65 66.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.71 1.604 . . . . 0.0 112.564 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.677 0 C-N-CA 125.313 1.435 . . . . 0.0 110.924 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.95 175.14 11.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 125.509 1.524 . . . . 0.0 109.234 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.07 110.49 12.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -96.74 117.77 41.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -91.0 108.13 19.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.05 111.57 23.55 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.382 1.073 . . . . 0.0 109.616 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -87.35 131.58 34.23 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -122.18 126.59 48.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.86 119.43 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -90.06 154.67 19.62 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.45 65.81 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.445 0.298 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.16 -3.0 23.86 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.608 0.718 . . . . 0.0 109.91 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.9 -10.48 74.42 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 127.881 2.658 . . . . 0.0 114.717 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -64.83 151.15 46.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.52 1.128 . . . . 0.0 111.33 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -117.48 143.26 46.23 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.998 0.919 . . . . 0.0 110.766 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -149.96 146.74 27.2 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.252 1.821 . . . . 0.0 109.796 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.67 139.99 52.37 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.469 0.707 . . . . 0.0 109.783 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 154.61 43.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.5 2.32 . . . . 0.0 107.279 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -135.82 109.77 8.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -97.48 129.81 44.63 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -110.85 153.77 24.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.691 1.596 . . . . 0.0 108.895 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.35 -155.9 20.63 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -70.6 161.55 30.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.16 -50.46 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.658 0.783 . . . . 0.0 110.552 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -59.73 -48.68 80.71 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.08 0.952 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -55.05 -57.16 12.84 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 124.887 1.275 . . . . 0.0 110.012 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.91 71.06 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.545 1.138 . . . . 0.0 111.302 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -68.37 -47.68 66.75 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -61.31 -35.63 77.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.907 0.483 . . . . 0.0 110.29 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.19 -41.3 98.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 118.332 0.514 . . . . 0.0 110.168 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.14 93.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.981 0.355 . . . . 0.0 110.8 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.69 -31.43 63.43 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.835 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.23 59.74 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.823 1.249 . . . . 0.0 109.182 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.8 -47.2 86.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.114 1.366 . . . . 0.0 109.323 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.24 -30.38 70.41 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.427 -0.796 . . . . 0.0 111.28 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.04 -36.39 83.83 Favored 'General case' 0 C--O 1.228 -0.053 0 CA-C-N 118.325 0.511 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -22.97 64.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.874 0.307 . . . . 0.0 111.277 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.03 -12.76 24.43 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 124.083 0.953 . . . . 0.0 112.013 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.74 -9.08 3.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.038 2.135 . . . . 0.0 113.608 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -78.56 -73.53 0.32 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.98 -12.94 61.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.395 0.998 . . . . 0.0 113.316 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -105.97 -9.6 17.0 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.914 0.779 . . . . 0.0 111.467 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.04 49.99 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.16 161.7 5.08 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 122.564 1.173 . . . . 0.0 110.479 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -134.88 164.69 27.02 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.765 0.793 . . . . 0.0 111.274 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.3 p -126.05 157.72 37.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.74 163.47 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 118.722 0.692 . . . . 0.0 111.178 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.41 141.88 32.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.202 2.201 . . . . 0.0 106.865 178.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.08 133.39 50.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.109 0.964 . . . . 0.0 108.476 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.26 166.75 23.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 46.4 45.13 13.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.257 1.423 . . . . 0.0 111.866 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 52.18 39.23 26.4 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.471 1.908 . . . . 0.0 111.58 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.92 72.43 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-O 118.217 -1.324 . . . . 0.0 113.351 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.02 -13.22 61.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.965 1.883 . . . . 0.0 110.08 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -129.28 123.14 31.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.18 133.33 56.14 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -118.95 97.2 5.58 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.484 0.713 . . . . 0.0 109.756 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.95 119.68 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 108.579 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 117.21 30.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.409 1.484 . . . . 0.0 107.597 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -79.91 136.08 36.57 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.812 0.845 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.16 -20.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.431 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.367 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 . . . . . 0 C--O 1.238 0.454 0 CA-C-O 121.804 0.812 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.88 170.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 126.283 1.833 . . . . 0.0 107.16 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -132.26 140.2 48.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.63 117.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -92.73 111.47 23.08 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.81 112.02 24.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.074 0.94 . . . . 0.0 108.636 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -85.1 129.34 34.82 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 119.18 32.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -114.54 100.63 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 125.492 1.517 . . . . 0.0 108.503 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -71.31 154.19 41.8 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.715 0.806 . . . . 0.0 109.731 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.05 61.89 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.601 1.161 . . . . 0.0 109.71 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -62.33 -22.26 65.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.204 1.402 . . . . 0.0 113.139 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.1 -21.76 10.04 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.702 1.144 . . . . 0.0 113.159 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 t -70.13 177.14 3.38 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 0.0 110.423 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.06 147.33 32.46 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 127.001 2.12 . . . . 0.0 106.821 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -151.59 145.89 25.44 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.42 135.63 48.92 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.03 160.76 30.93 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.525 1.53 . . . . 0.0 108.685 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.48 149.14 43.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -137.13 129.36 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -117.34 146.26 43.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.757 1.223 . . . . 0.0 108.874 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.88 -156.35 24.25 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.52 154.69 40.83 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.62 -42.18 82.83 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -60.24 -24.33 64.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.662 1.185 . . . . 0.0 111.971 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -90.36 -55.85 3.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.92 69.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.391 0.676 . . . . 0.0 111.373 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m -65.05 -45.48 85.2 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.414 -0.804 . . . . 0.0 109.428 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -63.45 -35.93 82.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.251 0.62 . . . . 0.0 111.121 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.98 -38.74 69.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.216 0.607 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.39 80.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.298 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.29 -32.28 64.55 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.23 82.72 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.907 -1.12 . . . . 0.0 111.134 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -62.39 -50.71 70.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.211 1.004 . . . . 0.0 110.15 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -31.25 71.65 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.842 -0.536 . . . . 0.0 112.041 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -36.74 84.72 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.935 -0.478 . . . . 0.0 112.203 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -5.58 40.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.568 -0.708 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -107.55 -24.53 11.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.217 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -53.21 -34.04 55.33 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.891 2.477 . . . . 0.0 114.247 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.7 -33.05 67.98 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.43 -24.68 9.17 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.207 0.912 . . . . 0.0 111.706 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -84.26 -19.91 33.09 Favored 'General case' 0 C--O 1.226 -0.143 0 O-C-N 121.28 -0.887 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.04 -171.73 35.95 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.37 160.3 16.35 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 122.473 1.13 . . . . 0.0 109.897 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -134.49 168.8 18.29 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.188 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -133.46 168.61 18.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 127.016 2.126 . . . . 0.0 105.654 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -141.96 158.06 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.143 -0.973 . . . . 0.0 110.397 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -141.75 118.96 11.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 p -82.58 133.96 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.568 1.547 . . . . 0.0 109.726 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.56 162.54 34.83 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.178 1.391 . . . . 0.0 108.772 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 55' ' ' GLY . 73.1 m-20 51.55 48.96 21.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.516 1.126 . . . . 0.0 109.782 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 66.79 -9.73 0.33 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.246 1.819 . . . . 0.0 112.0 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 127.82 -0.84 6.78 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 129.073 3.225 . . . . 0.0 111.622 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -67.55 -16.13 64.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.058 1.429 . . . . 0.0 110.004 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -129.56 130.89 46.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -123.88 132.51 53.76 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.641 1.176 . . . . 0.0 109.215 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -107.65 111.21 23.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mt -116.92 125.0 73.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -126.11 136.71 53.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.069 1.347 . . . . 0.0 107.947 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -103.28 132.12 49.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.481 1.113 . . . . 0.0 109.448 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.5 -59.2 2.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.873 0.869 . . . . 0.0 112.387 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 126.736 2.112 . . . . 0.0 108.786 -179.345 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 120.966 0.412 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 m -136.23 175.28 10.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 127.031 2.132 . . . . 0.0 109.274 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 m -130.7 140.49 50.36 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.547 1.539 . . . . 0.0 106.947 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -124.84 120.09 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -91.16 96.12 10.42 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.328 1.451 . . . . 0.0 107.472 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.25 112.38 22.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.822 0.82 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.48 131.14 34.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 103.652 -2.722 . . . . 0.0 103.652 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mt -121.95 124.64 44.51 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.07 100.52 7.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -76.69 152.99 35.54 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.992 1.317 . . . . 0.0 111.623 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.47 74.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.685 1.594 . . . . 0.0 110.9 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.07 -19.92 55.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.264 1.025 . . . . 0.0 111.104 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.3 -10.91 43.47 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.214 1.388 . . . . 0.0 110.092 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -73.98 160.41 31.37 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 118.009 0.905 . . . . 0.0 108.954 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 p -128.64 157.91 40.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -151.94 147.07 26.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.079 1.352 . . . . 0.0 107.671 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -129.99 133.73 46.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.22 114.81 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.325 1.45 . . . . 0.0 108.192 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -97.24 109.62 22.34 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -92.92 136.66 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -127.41 154.85 44.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.96 1.304 . . . . 0.0 111.264 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.84 -152.24 17.99 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 125.291 1.424 . . . . 0.0 109.69 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 p -67.95 159.13 31.23 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.511 -0.994 . . . . 0.0 109.407 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -53.56 -51.32 63.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.28 1.032 . . . . 0.0 109.966 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.52 -54.54 35.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.808 1.643 . . . . 0.0 111.602 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.74 -63.45 1.29 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.104 1.762 . . . . 0.0 111.026 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.91 68.59 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.451 0.7 . . . . 0.0 112.645 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -68.29 -49.59 59.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.762 -0.586 . . . . 0.0 109.492 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -65.61 -35.34 80.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.34 0.518 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.03 -41.19 91.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.313 1.045 . . . . 0.0 110.818 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.22 91.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.456 0.302 . . . . 0.0 110.283 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -73.07 -32.48 65.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.87 66.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.065 0.946 . . . . 0.0 109.977 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -71.85 -44.22 64.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.01 76.63 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.581 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -35.47 77.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 111.403 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -9.15 52.19 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 110.332 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.2 mt -106.63 -13.75 15.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.882 1.673 . . . . 0.0 111.144 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.11 -28.14 66.25 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.26 1.824 . . . . 0.0 115.869 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.35 -41.65 89.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.182 1.355 . . . . 0.0 113.65 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.15 -22.51 12.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.093 0.86 . . . . 0.0 113.138 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -93.6 -20.64 20.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 -170.38 42.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -66.34 169.45 7.3 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.41 1.1 . . . . 0.0 111.525 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -151.38 173.42 14.54 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.581 1.553 . . . . 0.0 109.486 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 p -132.29 167.41 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.5 132.56 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 122.087 -0.383 . . . . 0.0 111.631 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.97 141.18 37.79 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -104.27 112.29 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.87 174.03 8.22 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.981 1.313 . . . . 0.0 111.116 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 45.63 57.21 5.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.604 1.962 . . . . 0.0 110.019 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 57.87 1.42 0.14 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.62 14.25 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.074 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -108.9 -8.39 15.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.236 1.518 . . . . 0.0 112.56 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.6 m -126.27 103.19 7.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 120.076 1.307 . . . . 0.0 107.755 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.6 mt -93.82 131.58 39.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.72 95.59 5.41 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.7 mt -97.25 129.85 46.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.22 124.85 31.46 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.57 127.61 33.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.352 0.661 . . . . 0.0 110.256 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.05 -59.05 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.73 1.612 . . . . 0.0 108.666 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 122.917 0.294 . . . . 0.0 113.447 179.469 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.79 172.59 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 127.102 2.161 . . . . 0.0 107.323 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -126.63 133.49 50.99 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.08 132.65 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -110.9 139.57 46.12 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.43 119.16 31.28 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.691 0.797 . . . . 0.0 110.173 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -84.77 131.07 34.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -111.98 115.01 28.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.69 105.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -85.49 159.17 19.99 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.109 0.564 . . . . 0.0 112.375 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.62 68.64 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -71.63 6.82 1.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.466 1.906 . . . . 0.0 111.905 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.57 -15.46 7.53 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 120.07 -1.644 . . . . 0.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 p -72.06 159.54 34.01 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.666 1.586 . . . . 0.0 109.691 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 p -133.24 155.49 49.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.774 0.83 . . . . 0.0 109.778 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -152.26 146.93 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.71 2.004 . . . . 0.0 106.176 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -122.12 137.96 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.3 150.41 43.59 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -137.39 144.77 42.62 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.73 147.15 40.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.691 1.596 . . . . 0.0 108.169 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -129.54 148.92 51.49 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.447 2.299 . . . . 0.0 107.198 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.58 -155.83 24.97 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.4 p -69.57 162.66 27.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.27 -48.57 80.05 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.16 -51.22 70.53 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.837 1.255 . . . . 0.0 111.267 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -62.87 -58.99 5.5 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.576 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -42.19 62.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.745 0.702 . . . . 0.0 111.071 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -61.77 -48.94 78.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -63.01 -35.13 79.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.21 0.604 . . . . 0.0 112.187 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.66 -41.75 99.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.398 0.999 . . . . 0.0 109.905 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.26 77.36 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.125 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -74.28 -31.33 62.49 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.163 -0.336 . . . . 0.0 110.33 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.9 89.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -64.99 -48.79 72.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.074 0.949 . . . . 0.0 108.482 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.39 70.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 111.677 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -36.35 82.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.152 1.381 . . . . 0.0 112.111 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -34.65 78.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.689 -0.632 . . . . 0.0 110.357 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -83.33 -15.22 50.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.865 1.266 . . . . 0.0 112.819 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -57.71 -27.75 63.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.502 1.521 . . . . 0.0 113.804 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.23 -61.15 1.98 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.736 1.153 . . . . 0.0 111.478 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.27 -17.85 47.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -104.96 -14.26 15.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.174 0.897 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.98 -164.83 32.69 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 119.266 0.939 . . . . 0.0 114.46 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.93 162.62 6.72 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 122.092 0.948 . . . . 0.0 110.236 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -147.02 154.25 40.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.475 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.4 p -141.98 118.73 11.09 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 127.319 2.248 . . . . 0.0 108.16 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -94.69 143.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.73 141.61 45.13 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.87 126.02 46.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 109.62 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.85 152.46 47.84 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 50.87 42.06 27.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.869 1.268 . . . . 0.0 110.358 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 65.97 -1.41 1.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.714 2.006 . . . . 0.0 113.062 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.0 5.52 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 126.333 1.921 . . . . 0.0 110.463 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -62.28 -12.88 23.13 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 119.727 1.763 . . . . 0.0 111.811 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -129.27 101.88 6.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -96.55 112.13 23.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -94.45 91.06 6.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.0 mt -88.78 101.91 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.804 1.641 . . . . 0.0 109.295 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -103.34 137.1 41.92 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.625 1.97 . . . . 0.0 112.417 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.47 138.46 34.87 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.638 1.175 . . . . 0.0 111.873 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.45 -16.09 33.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.246 0.618 . . . . 0.0 111.367 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -178.396 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.2 m -138.34 162.93 29.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 124.773 1.229 . . . . 0.0 108.213 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -108.32 118.62 37.24 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.401 1.08 . . . . 0.0 108.36 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -106.02 121.22 58.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -91.37 135.04 34.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.78 118.63 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -97.87 116.2 29.61 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -115.97 103.47 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.898 0.879 . . . . 0.0 109.929 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.81 125.83 45.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.06 151.48 19.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.6 50.79 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -90.35 16.13 9.32 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.967 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.98 -5.94 80.92 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.575 1.083 . . . . 0.0 113.633 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -99.64 175.78 5.7 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 118.748 1.274 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -145.89 172.4 13.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.392 1.077 . . . . 0.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.97 137.21 18.45 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -134.21 138.54 45.17 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.29 162.08 36.39 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.649 0.78 . . . . 0.0 111.689 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.57 109.16 7.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -102.47 144.47 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.28 167.42 16.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 123.444 0.697 . . . . 0.0 111.526 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.02 -158.34 20.93 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 p -64.17 158.79 22.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -50.46 -51.26 48.55 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.279 1.032 . . . . 0.0 111.938 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.23 -35.29 80.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -69.41 -52.92 22.28 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 119.244 0.929 . . . . 0.0 110.413 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -26.14 68.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 118.464 -1.294 . . . . 0.0 110.727 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -66.21 -54.61 23.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -62.4 -35.43 79.17 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.27 -44.71 96.79 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 119.073 0.851 . . . . 0.0 110.473 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.19 90.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.67 -30.85 63.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.421 -0.8 . . . . 0.0 111.601 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.31 78.29 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.594 1.558 . . . . 0.0 109.361 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.2 -45.82 68.98 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.124 0.969 . . . . 0.0 109.842 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -31.86 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.41 -0.806 . . . . 0.0 110.89 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.78 -36.89 83.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.842 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -76.84 7.74 4.45 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.399 1.0 . . . . 0.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.95 -10.22 7.7 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.39 1.876 . . . . 0.0 109.996 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -64.34 -20.91 66.41 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.852 1.661 . . . . 0.0 114.84 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -84.27 -35.7 23.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.399 0.999 . . . . 0.0 111.672 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -92.21 -16.85 25.66 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.477 0.711 . . . . 0.0 112.586 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -117.23 -11.58 10.63 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.69 -173.05 39.73 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 121.812 0.673 . . . . 0.0 112.559 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -64.75 162.84 15.18 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.3 p-90 -141.58 158.2 44.13 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.804 0.812 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -113.12 158.14 20.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.1 147.8 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.48 136.24 46.56 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.54 105.8 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.519 1.528 . . . . 0.0 107.249 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.0 -178.29 4.13 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.786 1.235 . . . . 0.0 109.436 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 42.2 59.22 2.71 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.337 2.255 . . . . 0.0 111.718 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 53.0 17.06 0.82 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.41 7.64 48.49 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 120.916 -1.115 . . . . 0.0 111.938 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.83 -10.44 19.09 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.977 1.388 . . . . 0.0 112.585 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.2 m -131.67 119.34 21.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 120.483 1.492 . . . . 0.0 108.506 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -104.8 131.08 52.7 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.085 1.354 . . . . 0.0 107.899 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -107.17 97.46 7.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.82 132.38 45.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -131.44 130.3 42.34 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 121.072 -1.017 . . . . 0.0 109.587 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.35 141.71 29.0 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 -17.98 15.06 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmt . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -146.26 131.08 18.04 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.3 -177.29 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.404 2.282 . . . . 0.0 109.394 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.43 174.86 4.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 111.187 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 m -129.11 133.68 47.75 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -118.79 132.6 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -110.47 109.52 19.91 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.451 1.1 . . . . 0.0 109.476 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.46 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -106.75 121.47 44.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 103.148 -2.908 . . . . 0.0 103.148 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.17 121.86 46.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.97 109.89 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 126.407 1.883 . . . . 0.0 106.873 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -83.33 155.45 23.55 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.199 0.6 . . . . 0.0 111.811 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -24.45 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.496 0.318 . . . . 0.0 110.764 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -66.73 -27.59 67.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 109.456 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.34 -12.26 19.16 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 126.023 1.773 . . . . 0.0 112.983 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.03 170.17 13.41 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 118.641 1.221 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.86 160.11 39.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.779 0.832 . . . . 0.0 109.352 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.05 145.94 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 126.106 1.762 . . . . 0.0 107.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.81 138.47 54.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.87 117.3 12.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 121.668 -0.645 . . . . 0.0 109.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -96.49 133.34 41.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -122.04 144.06 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.921 1.688 . . . . 0.0 106.642 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -127.6 148.83 50.36 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.245 1.018 . . . . 0.0 108.613 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.35 -161.4 26.06 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -67.32 163.99 19.44 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.647 -0.913 . . . . 0.0 109.784 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -53.62 -40.66 65.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.414 1.486 . . . . 0.0 110.416 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -73.52 -46.28 48.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.237 1.415 . . . . 0.0 111.977 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -54.62 36.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.402 1.081 . . . . 0.0 111.585 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.24 66.95 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.53 0.604 . . . . 0.0 111.388 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -68.22 -44.62 75.33 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.679 0.672 . . . . 0.0 109.644 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.9 t -60.19 -36.17 77.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.299 0.64 . . . . 0.0 110.979 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.98 -37.65 66.95 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.714 0.806 . . . . 0.0 110.605 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.03 93.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.99 -29.41 63.01 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.24 -0.41 . . . . 0.0 109.917 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.3 70.79 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 119.475 1.034 . . . . 0.0 109.271 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.77 -46.82 87.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.36 90.83 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.588 -0.695 . . . . 0.0 111.039 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.51 -37.36 87.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 117.79 -1.1 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -37.47 77.65 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.32 -17.05 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.965 0.506 . . . . 0.0 112.263 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -23.22 61.84 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.785 0.834 . . . . 0.0 113.187 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.58 -39.64 67.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.643 1.11 . . . . 0.0 112.51 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.52 -3.13 25.71 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -125.66 -9.71 6.77 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.181 0.992 . . . . 0.0 112.622 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.96 -178.02 53.7 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 121.836 0.687 . . . . 0.0 113.149 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.5 153.47 15.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.608 -0.796 . . . . 0.0 109.802 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -137.6 167.56 21.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.434 1.112 . . . . 0.0 111.426 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -123.3 158.42 31.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.09 144.97 25.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.92 141.79 51.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.54 1.136 . . . . 0.0 110.459 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.49 120.03 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.339 1.456 . . . . 0.0 109.367 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.57 164.27 26.2 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.781 1.232 . . . . 0.0 108.185 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.24 53.21 8.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.558 1.543 . . . . 0.0 110.632 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 57.07 18.72 4.21 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.722 1.609 . . . . 0.0 114.663 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.77 -13.73 45.96 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.507 1.527 . . . . 0.0 112.501 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.43 -12.96 61.32 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.316 1.058 . . . . 0.0 111.513 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.8 m -127.79 129.09 46.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -122.74 131.52 53.82 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.693 0.797 . . . . 0.0 108.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.92 120.83 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -123.34 122.23 64.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -121.14 127.64 51.76 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -85.49 125.78 33.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.28 58.57 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.245 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.66 1.6 . . . . 0.0 110.68 -179.76 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.93 107.98 9.77 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -134.7 163.27 30.14 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.444 1.098 . . . . 0.0 110.383 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.62 173.78 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 128.207 2.603 . . . . 0.0 108.13 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -135.41 100.74 4.6 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.029 0.932 . . . . 0.0 109.221 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.0 mt -92.51 131.99 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -102.32 138.11 39.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 126.984 2.114 . . . . 0.0 109.16 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.71 119.67 32.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.792 1.237 . . . . 0.0 109.716 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -98.61 116.77 31.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.76 104.36 14.65 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.301 1.44 . . . . 0.0 108.383 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.46 103.01 14.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -77.62 157.7 30.12 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.388 -0.82 . . . . 0.0 111.692 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.08 92.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.303 0.641 . . . . 0.0 109.818 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -63.36 -7.67 7.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.928 2.091 . . . . 0.0 114.253 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.32 -17.74 58.09 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.837 1.208 . . . . 0.0 114.703 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -76.58 174.87 9.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.606 1.703 . . . . 0.0 107.048 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -143.81 162.96 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.499 1.12 . . . . 0.0 109.874 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -150.13 145.64 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -133.28 138.33 46.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.54 163.9 32.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.33 153.28 51.9 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.7 134.83 43.54 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 127.063 2.145 . . . . 0.0 106.852 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -116.14 140.84 48.88 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.609 1.164 . . . . 0.0 108.527 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.12 -156.06 26.81 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.53 159.38 34.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.22 -45.59 79.84 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.693 -0.63 . . . . 0.0 110.243 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -70.73 -11.9 61.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.675 1.19 . . . . 0.0 112.076 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -62.66 1.45 Allowed 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.74 84.76 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.558 1.143 . . . . 0.0 113.494 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -64.5 -45.68 86.25 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -66.91 -36.37 82.1 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.512 1.125 . . . . 0.0 112.44 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.48 -31.96 60.41 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.243 -0.911 . . . . 0.0 110.047 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.42 83.09 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.98 -30.9 64.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.36 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.41 77.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -61.39 -41.17 96.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.086 0.954 . . . . 0.0 110.345 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.6 82.29 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.58 -36.17 82.97 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.044 -1.035 . . . . 0.0 112.896 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -67.56 -37.62 82.91 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.508 1.049 . . . . 0.0 108.947 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.8 -18.15 62.75 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.315 1.046 . . . . 0.0 113.189 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -54.81 -25.4 28.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.952 1.301 . . . . 0.0 111.961 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -51.56 -37.21 48.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.875 2.07 . . . . 0.0 112.55 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -126.84 -17.65 4.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.065 0.946 . . . . 0.0 112.281 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -96.49 -8.8 31.15 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.76 -170.56 51.21 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 119.306 0.957 . . . . 0.0 113.282 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -57.61 158.06 6.43 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.723 1.209 . . . . 0.0 110.542 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -151.43 164.37 36.88 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.091 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.6 p -134.36 172.77 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.841 1.656 . . . . 0.0 107.528 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.61 153.2 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.284 1.034 . . . . 0.0 108.868 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 116.19 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.4 t -83.55 111.03 19.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.554 1.542 . . . . 0.0 108.767 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.78 173.72 10.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.735 1.214 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.42 36.22 19.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.986 1.714 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 67.44 21.84 9.53 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.24 2.216 . . . . 0.0 111.101 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.14 -1.9 63.16 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.418 1.485 . . . . 0.0 111.612 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -81.34 -9.76 59.68 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.541 1.671 . . . . 0.0 111.885 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.5 m -134.46 121.18 20.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.22 127.28 54.88 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.832 1.653 . . . . 0.0 107.55 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -108.73 99.19 8.58 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.9 mt -95.89 132.88 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.745 1.618 . . . . 0.0 107.063 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -131.03 136.18 48.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.53 150.04 24.96 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.357 1.063 . . . . 0.0 110.394 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.44 -13.32 18.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.443 1.497 . . . . 0.0 113.855 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -178.232 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -159.52 117.9 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -96.74 177.68 5.57 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.292 1.437 . . . . 0.0 107.449 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.69 167.57 12.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.559 1.144 . . . . 0.0 108.017 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 m -132.91 101.29 5.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.5 124.85 48.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.497 1.119 . . . . 0.0 108.194 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -91.64 140.03 30.12 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.29 111.7 17.69 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -86.8 120.63 28.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -113.06 117.73 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.13 114.19 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -79.84 147.75 31.63 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.842 0.829 . . . . 0.0 110.343 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -22.47 61.7 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.695 1.198 . . . . 0.0 108.9 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -66.13 -23.63 66.52 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.129 0.571 . . . . 0.0 111.328 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.58 -17.73 7.31 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 125.334 1.445 . . . . 0.0 113.484 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -85.05 172.09 11.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.119 1.459 . . . . 0.0 113.095 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -136.09 156.76 48.24 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.289 1.436 . . . . 0.0 108.831 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -151.55 146.51 25.92 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.535 1.934 . . . . 0.0 107.241 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -123.16 138.61 54.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.21 156.14 49.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.606 1.563 . . . . 0.0 107.276 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -134.96 132.8 38.82 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -118.5 130.24 55.82 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 125.265 1.426 . . . . 0.0 109.068 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -114.78 157.56 23.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.918 1.287 . . . . 0.0 108.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.7 -165.04 21.68 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 p -70.98 170.42 12.81 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.116 0.958 . . . . 0.0 108.558 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -55.99 -47.73 77.18 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.189 -0.319 . . . . 0.0 110.514 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.91 -44.92 96.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.615 1.166 . . . . 0.0 111.226 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.2 -63.87 1.11 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.854 1.262 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.87 63.29 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.963 0.905 . . . . 0.0 111.729 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -53.42 51.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.034 0.533 . . . . 0.0 110.572 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -62.8 -36.5 83.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.846 0.458 . . . . 0.0 111.812 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -69.68 -36.26 75.84 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.76 -0.587 . . . . 0.0 110.61 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.32 97.22 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.03 0.377 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.79 -31.67 65.03 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.306 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.86 84.07 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.94 -37.31 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.347 0.659 . . . . 0.0 110.734 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.75 51.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.29 -36.73 78.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.063 0.945 . . . . 0.0 112.055 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.5 t -71.24 -8.56 54.44 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.047 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.7 mt -108.63 -17.82 13.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.28 1.832 . . . . 0.0 109.574 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -59.55 -21.27 60.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.749 2.02 . . . . 0.0 112.596 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -73.09 -32.56 65.06 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.73 1.15 . . . . 0.0 112.02 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -101.85 -19.89 15.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.866 0.757 . . . . 0.0 112.567 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -102.01 -15.82 16.66 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.28 -176.52 46.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.09 165.8 1.78 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.532 1.158 . . . . 0.0 112.111 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -142.42 163.55 32.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.541 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -121.26 157.67 29.79 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.2 143.4 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -120.79 141.31 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.956 1.302 . . . . 0.0 108.295 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -102.37 111.53 32.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.82 179.6 4.75 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.103 1.761 . . . . 0.0 111.992 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 48.29 51.17 15.42 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.042 1.737 . . . . 0.0 109.878 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 56.38 10.33 0.65 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.137 1.775 . . . . 0.0 114.142 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.58 -9.4 12.98 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.291 1.9 . . . . 0.0 113.155 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.63 -7.5 59.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.193 1.497 . . . . 0.0 113.465 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -135.48 129.96 33.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 120.357 1.435 . . . . 0.0 109.199 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.7 131.26 56.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.945 1.698 . . . . 0.0 106.916 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -110.81 91.87 3.83 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.1 mt -90.21 127.23 42.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 125.864 1.666 . . . . 0.0 108.904 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -128.84 122.12 29.75 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.279 1.032 . . . . 0.0 110.22 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -79.84 153.19 29.26 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.6 0.55 11.01 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.835 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -127.79 94.64 4.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.5 161.99 26.68 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 m -148.86 175.01 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 127.521 2.328 . . . . 0.0 107.227 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -127.33 103.8 7.58 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 109.348 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.01 121.21 39.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 124.888 1.275 . . . . 0.0 108.311 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -96.96 127.05 42.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.86 111.61 23.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -87.5 113.06 22.86 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 104.392 -2.447 . . . . 0.0 104.392 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.07 103.73 13.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.805 0.73 . . . . 0.0 110.13 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.35 123.01 44.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -89.69 151.82 21.67 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 124.27 1.028 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.39 64.73 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.446 1.098 . . . . 0.0 110.654 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -73.99 9.97 1.36 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.996 1.719 . . . . 0.0 112.098 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.33 18.08 79.15 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.22 -1.55 . . . . 0.0 109.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -111.96 174.92 5.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.909 1.683 . . . . 0.0 109.184 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -148.48 157.71 43.65 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.413 -0.804 . . . . 0.0 111.885 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -151.85 146.19 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.839 2.056 . . . . 0.0 106.081 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -134.33 138.5 44.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.513 1.051 . . . . 0.0 108.262 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.47 154.25 40.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.612 1.565 . . . . 0.0 106.985 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.75 108.46 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -95.85 152.03 18.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.531 1.132 . . . . 0.0 109.334 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -131.51 147.0 52.5 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.666 0.786 . . . . 0.0 108.897 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -160.66 26.67 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 107.431 -2.267 . . . . 0.0 107.431 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -65.37 159.56 23.83 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -51.69 -51.61 54.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.944 0.898 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -68.89 -40.17 79.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.615 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.05 -50.23 74.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.05 86.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.536 0.734 . . . . 0.0 111.477 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -60.56 -42.81 97.35 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -63.24 -35.57 80.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.128 0.571 . . . . 0.0 110.211 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.8 -42.14 82.06 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.374 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.05 -40.83 86.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.629 0.65 . . . . 0.0 110.869 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.15 -31.28 64.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.316 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.94 72.09 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -60.1 -46.51 89.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.06 1.344 . . . . 0.0 108.585 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.03 92.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.238 -0.914 . . . . 0.0 109.935 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.47 -34.84 79.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.712 -1.243 . . . . 0.0 110.965 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -16.27 43.81 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.918 1.287 . . . . 0.0 111.348 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -111.6 -8.28 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.867 1.667 . . . . 0.0 112.814 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -77.57 66.59 3.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.058 2.943 . . . . 0.0 106.567 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -155.97 -81.36 0.07 Allowed 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 102.941 -2.985 . . . . 0.0 102.941 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.17 -10.41 59.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -113.32 -17.28 12.33 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.273 -0.87 . . . . 0.0 113.047 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 -163.25 33.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.442 1.019 . . . . 0.0 111.273 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.14 168.66 11.69 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.724 0.773 . . . . 0.0 111.099 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -145.41 161.36 39.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.411 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -128.05 148.58 50.56 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 127.182 2.193 . . . . 0.0 105.909 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.1 150.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.082 0.953 . . . . 0.0 109.964 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -127.17 122.24 33.56 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.966 1.706 . . . . 0.0 107.506 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.09 103.14 9.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.99 169.14 10.77 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.095 0.958 . . . . 0.0 112.533 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 t0 48.62 56.29 7.8 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.389 1.876 . . . . 0.0 111.238 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 58.36 17.72 4.98 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.777 1.231 . . . . 0.0 111.397 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.82 4.82 60.17 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.766 1.65 . . . . 0.0 112.016 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -82.13 -22.01 36.38 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.364 1.582 . . . . 0.0 110.389 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.4 m -121.53 122.04 38.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.6 mt -109.48 110.45 21.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.4 107.27 19.09 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.65 138.69 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.803 0.841 . . . . 0.0 109.08 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.07 136.44 48.44 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.847 1.659 . . . . 0.0 109.541 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -98.18 154.04 18.04 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.418 1.008 . . . . 0.0 108.768 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 -19.09 15.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.668 0.787 . . . . 0.0 112.514 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -131.05 118.91 21.24 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.465 1.906 . . . . 0.0 107.756 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 m -119.36 174.86 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.265 1.426 . . . . 0.0 108.871 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.2 m -136.9 107.55 6.56 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 126.26 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -91.91 128.93 37.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.46 21.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -93.02 123.65 36.42 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.36 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 125.613 1.565 . . . . 0.0 107.448 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.6 105.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -75.09 151.97 38.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -80.85 -6.41 58.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.274 1.029 . . . . 0.0 112.989 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.74 -23.81 16.49 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.721 -1.044 . . . . 0.0 112.298 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 m -61.02 154.0 23.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.623 1.211 . . . . 0.0 109.236 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -141.58 130.99 23.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -138.91 145.47 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -134.35 139.78 45.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.019 0.827 . . . . 0.0 110.796 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.95 161.15 27.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.906 2.082 . . . . 0.0 107.699 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -134.28 109.3 8.74 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -97.1 151.6 19.61 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -131.17 167.49 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 111.509 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.4 -159.73 14.2 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 161.3 20.02 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.04 -53.23 28.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.251 1.42 . . . . 0.0 110.727 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -64.99 -30.36 71.35 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.53 -61.7 1.71 Allowed 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.362 0.665 . . . . 0.0 109.572 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -30.88 64.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.327 0.392 . . . . 0.0 111.398 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -68.56 -48.83 63.23 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -60.77 -35.77 77.26 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.289 0.636 . . . . 0.0 111.054 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.86 -41.94 99.56 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.919 0.781 . . . . 0.0 110.511 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.8 98.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 117.796 0.271 . . . . 0.0 111.008 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -72.48 -31.05 65.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.996 0.362 . . . . 0.0 110.244 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.31 81.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.312 1.045 . . . . 0.0 109.731 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -67.57 -41.19 84.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.652 1.181 . . . . 0.0 110.109 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.38 83.91 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.725 0.81 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.77 -36.66 84.62 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.226 -0.921 . . . . 0.0 112.764 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -74.25 0.93 12.62 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.62 -6.71 9.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.0 1.32 . . . . 0.0 111.328 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.39 -23.82 51.63 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.202 1.801 . . . . 0.0 113.253 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.73 -64.83 0.81 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.946 0.794 . . . . 0.0 110.556 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.07 -16.64 56.48 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 126.119 1.768 . . . . 0.0 114.818 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -110.24 -12.29 14.47 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.79 -178.0 52.3 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.62 165.77 6.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.548 0.69 . . . . 0.0 110.742 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -148.66 167.39 25.61 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -138.13 145.67 41.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.492 1.517 . . . . 0.0 108.571 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.5 t -117.48 151.45 19.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.14 140.59 52.44 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.689 1.596 . . . . 0.0 107.659 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.94 102.9 13.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 125.643 1.577 . . . . 0.0 109.845 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.19 164.23 14.79 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.035 0.934 . . . . 0.0 108.885 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.84 52.05 14.83 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.092 1.357 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 59.7 4.29 0.54 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 114.06 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.23 -16.58 8.64 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.265 2.364 . . . . 0.0 111.292 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -67.5 -9.47 42.5 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.189 1.495 . . . . 0.0 112.888 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.0 m -132.29 124.72 29.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.42 111.0 20.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -90.25 100.03 12.94 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mt -92.52 129.53 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -130.2 134.38 47.23 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.642 1.177 . . . . 0.0 108.816 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.34 156.11 16.59 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.23 -9.05 16.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.063 1.345 . . . . 0.0 112.956 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.427 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -139.88 113.52 8.61 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -121.23 171.39 8.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.54 2.336 . . . . 0.0 110.679 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -127.73 174.68 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.507 1.523 . . . . 0.0 111.541 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -127.34 133.88 50.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.35 120.03 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.552 1.941 . . . . 0.0 108.256 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -91.57 123.23 34.82 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.255 2.222 . . . . 0.0 110.392 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.05 115.05 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 119.667 1.121 . . . . 0.0 110.086 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -87.47 110.72 20.51 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.24 115.17 27.82 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -113.37 99.65 9.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.97 150.32 35.9 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 123.304 0.641 . . . . 0.0 110.286 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.07 -12.1 61.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.333 1.053 . . . . 0.0 112.303 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -75.92 -22.28 56.19 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.353 -0.842 . . . . 0.0 111.039 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.76 -22.69 9.84 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.657 1.599 . . . . 0.0 109.765 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -67.9 154.89 40.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.45 1.9 . . . . 0.0 109.641 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -136.93 159.73 41.01 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.608 -0.683 . . . . 0.0 110.083 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -152.59 146.45 25.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.843 1.657 . . . . 0.0 107.467 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -126.75 138.72 53.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.81 155.0 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.893 1.677 . . . . 0.0 107.578 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.69 109.16 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.26 153.16 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -131.27 161.89 31.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.684 0.794 . . . . 0.0 110.883 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.05 -160.05 22.81 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -65.3 164.99 12.41 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -53.91 -45.94 71.31 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.68 -52.82 55.19 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.687 -0.673 . . . . 0.0 111.17 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.77 -58.59 6.39 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.747 0.819 . . . . 0.0 111.814 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -34.8 70.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.68 0.392 . . . . 0.0 111.586 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.6 m -68.81 -50.12 52.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -61.05 -35.62 77.4 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.56 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -68.04 -43.16 79.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 109.734 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.67 96.13 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.111 -0.368 . . . . 0.0 110.68 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -73.65 -31.53 63.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.337 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.17 90.03 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.33 1.052 . . . . 0.0 109.192 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -65.1 -45.28 85.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.927 -0.483 . . . . 0.0 110.074 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.27 69.34 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.133 -0.98 . . . . 0.0 111.878 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.72 -36.32 83.91 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.454 -0.779 . . . . 0.0 112.443 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -70.85 -37.04 73.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.656 1.116 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.38 -26.23 66.35 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.7 0.8 . . . . 0.0 112.641 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.02 -27.06 29.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.011 1.324 . . . . 0.0 113.836 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.17 -62.39 1.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.107 0.867 . . . . 0.0 113.145 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.36 -23.62 37.59 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -92.09 -25.8 18.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 116.689 -1.624 . . . . 0.0 114.582 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.2 -176.86 25.93 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.99 1.757 . . . . 0.0 111.524 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.18 158.52 19.75 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 122.214 1.007 . . . . 0.0 111.049 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -132.01 174.99 9.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.057 0.932 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.8 p -137.46 161.96 34.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.23 2.612 . . . . 0.0 105.726 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.09 155.17 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 111.76 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -141.89 142.47 33.08 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 127.602 2.361 . . . . 0.0 106.3 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.17 134.52 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.026 1.33 . . . . 0.0 109.461 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.87 -176.6 4.73 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.699 2.0 . . . . 0.0 109.336 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 52.14 41.66 30.2 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.809 2.044 . . . . 0.0 112.001 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 63.86 17.67 10.67 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.047 1.739 . . . . 0.0 112.627 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.67 29.17 6.0 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.4 -8.75 9.57 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.252 1.026 . . . . 0.0 111.054 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -128.27 120.67 27.59 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -117.9 132.18 56.45 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.506 1.922 . . . . 0.0 107.859 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -113.71 117.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.21 107.2 20.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -110.96 136.28 50.2 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.486 0.714 . . . . 0.0 109.238 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -93.72 151.69 19.47 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.986 1.714 . . . . 0.0 108.568 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.79 3.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.376 0 C-N-CA 127.487 2.47 . . . . 0.0 110.335 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -151.2 136.43 17.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.011 0.924 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -156.67 168.7 26.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.6 2.36 . . . . 0.0 109.688 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.49 174.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 128.246 2.618 . . . . 0.0 107.845 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -129.5 124.55 34.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mt -115.73 126.25 73.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -98.35 138.87 34.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.51 116.31 25.82 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.37 1.068 . . . . 0.0 108.779 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -89.07 111.45 22.19 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 103.108 -2.923 . . . . 0.0 103.108 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.07 127.5 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.33 104.98 14.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -85.23 146.76 26.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -19.43 64.59 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -63.0 -21.74 66.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 111.184 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.67 -39.89 2.49 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.818 1.199 . . . . 0.0 112.537 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -71.24 163.55 27.42 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.037 1.418 . . . . 0.0 110.905 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -126.07 161.8 26.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.648 2.379 . . . . 0.0 106.69 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -152.71 146.24 24.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.737 0.815 . . . . 0.0 108.865 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -118.36 138.23 52.56 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.58 143.37 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -133.22 114.39 13.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -112.15 154.85 24.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.734 1.214 . . . . 0.0 110.332 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -131.25 167.15 19.69 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.924 0.89 . . . . 0.0 110.837 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.98 -166.19 19.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 125.575 1.56 . . . . 0.0 109.528 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.2 p -65.2 170.43 4.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.086 1.443 . . . . 0.0 108.459 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.7 -54.99 25.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.833 0.453 . . . . 0.0 111.089 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.7 -31.51 72.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 111.685 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -56.94 12.85 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.218 0.607 . . . . 0.0 109.784 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.98 79.13 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.98 0.512 . . . . 0.0 110.281 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -62.38 -52.55 63.17 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -58.9 -36.54 74.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.05 -44.91 62.6 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 119.479 1.036 . . . . 0.0 110.598 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.36 97.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.248 0.476 . . . . 0.0 110.493 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -73.69 -31.62 63.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.187 -0.435 . . . . 0.0 110.677 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.97 75.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.185 0.902 . . . . 0.0 108.672 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -66.1 -30.02 70.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.185 0.594 . . . . 0.0 110.422 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.26 -36.03 61.31 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.488 -1.383 . . . . 0.0 109.134 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.23 -36.26 81.45 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.44 1.096 . . . . 0.0 112.241 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -71.77 -6.67 43.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.334 -0.854 . . . . 0.0 112.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -114.05 -4.99 13.12 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.021 1.328 . . . . 0.0 111.557 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -59.58 -30.89 68.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.471 1.908 . . . . 0.0 113.483 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.32 -58.24 5.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 120.101 1.319 . . . . 0.0 112.154 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.54 -17.33 60.11 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -114.19 -15.09 12.25 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.48 -172.41 33.01 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -65.48 164.2 14.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -142.59 143.71 32.55 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.82 -0.55 . . . . 0.0 109.846 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 p -93.59 168.54 10.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.279 14.6 p -147.25 126.95 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 O-C-N 121.56 -0.712 . . . . 0.0 109.112 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -121.65 133.67 54.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.73 1.212 . . . . 0.0 108.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.75 134.59 26.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.324 1.05 . . . . 0.0 112.275 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.32 173.22 11.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.596 1.558 . . . . 0.0 108.744 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 43.71 52.11 6.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.883 2.073 . . . . 0.0 112.53 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.88 18.41 3.84 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.843 1.257 . . . . 0.0 114.125 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.42 -2.69 32.71 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.218 1.39 . . . . 0.0 112.266 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.05 -3.04 57.53 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.168 1.484 . . . . 0.0 111.656 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.8 m -134.2 142.06 47.26 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.7 131.16 51.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.48 1.512 . . . . 0.0 110.272 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -101.31 112.45 24.97 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 103.915 -2.624 . . . . 0.0 103.915 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.23 102.37 13.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -102.67 123.8 47.03 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.995 1.318 . . . . 0.0 107.481 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -82.98 137.36 34.19 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.33 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.292 1.037 . . . . 0.0 112.724 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.91 -2.076 . . . . 0.0 107.91 -179.038 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -151.3 148.04 27.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.373 1.469 . . . . 0.0 107.801 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.99 162.88 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 126.239 1.816 . . . . 0.0 109.833 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.69 174.92 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 127.516 2.326 . . . . 0.0 108.783 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -128.18 108.57 10.74 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -93.56 125.53 46.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -94.24 133.17 38.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.68 118.85 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.973 0.351 . . . . 0.0 111.719 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -86.0 122.84 30.61 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 126.082 1.753 . . . . 0.0 107.191 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.21 134.84 51.24 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.4 124.55 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.99 159.1 16.81 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.826 0.851 . . . . 0.0 111.038 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.49 15.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.789 1.636 . . . . 0.0 112.789 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -95.67 4.51 52.97 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.347 1.859 . . . . 0.0 107.863 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.71 -13.05 38.07 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 120.03 -1.669 . . . . 0.0 112.782 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 m -70.79 156.51 39.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.972 0.886 . . . . 0.0 109.704 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -138.46 150.56 46.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.798 1.239 . . . . 0.0 108.403 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -152.31 146.41 25.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.419 1.088 . . . . 0.0 108.717 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 133.09 55.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.083 1.31 . . . . 0.0 108.988 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.14 166.62 11.63 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.003 1.721 . . . . 0.0 110.19 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -143.39 126.18 16.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.433 1.893 . . . . 0.0 107.434 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -123.54 129.13 50.74 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -110.28 142.82 41.36 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.18 -164.77 30.61 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 107.729 -2.149 . . . . 0.0 107.729 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.9 p -70.84 165.11 23.9 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.24 -48.29 79.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.574 -0.704 . . . . 0.0 110.637 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.67 -26.21 66.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.489 0.716 . . . . 0.0 112.402 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.42 -56.15 4.39 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.091 0.86 . . . . 0.0 109.147 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.18 -36.47 68.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.257 1.023 . . . . 0.0 111.509 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -64.37 -47.0 80.91 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -64.27 -35.69 81.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.499 0.72 . . . . 0.0 110.676 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.1 -35.27 80.2 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.812 -0.555 . . . . 0.0 111.293 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.94 96.74 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -72.82 -30.43 64.04 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.014 0.526 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.69 -51.9 55.74 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 108.75 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.72 -45.1 90.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.131 1.373 . . . . 0.0 109.322 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.84 78.73 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.234 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.32 -36.88 79.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.437 1.017 . . . . 0.0 109.863 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -10.23 24.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.261 1.024 . . . . 0.0 111.782 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.3 mt -118.3 -8.98 10.5 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.584 1.954 . . . . 0.0 111.121 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -60.49 -25.92 66.42 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.198 1.399 . . . . 0.0 114.439 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -61.23 1.84 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.242 0.928 . . . . 0.0 109.585 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.01 -21.53 56.78 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -107.63 -10.24 15.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.902 0.774 . . . . 0.0 112.678 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.24 -177.34 42.63 Favored Glycine 0 C--N 1.332 0.353 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.58 164.79 7.09 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.6 p-90 -149.81 166.54 29.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.318 0.58 . . . . 0.0 111.832 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -140.13 159.94 41.07 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.978 2.111 . . . . 0.0 105.339 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.82 150.49 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.248 0.547 . . . . 0.0 111.059 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -127.38 132.33 50.18 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.023 2.529 . . . . 0.0 104.302 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.4 133.7 34.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 123.802 0.841 . . . . 0.0 109.318 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.43 164.95 26.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.895 1.278 . . . . 0.0 109.56 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 45.43 48.92 10.69 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.986 1.714 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 63.03 -0.9 0.55 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.941 2.097 . . . . 0.0 114.625 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.2 -9.99 6.97 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 127.678 2.561 . . . . 0.0 111.314 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -68.24 -12.85 61.68 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.939 1.869 . . . . 0.0 110.646 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.4 m -131.43 130.09 42.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.54 131.98 54.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 124.355 1.062 . . . . 0.0 108.67 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -108.61 106.67 16.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mt -110.51 108.89 26.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.0 135.78 47.98 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -104.24 123.94 48.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.867 1.267 . . . . 0.0 108.863 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.82 -22.7 63.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 125.0 1.32 . . . . 0.0 112.606 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -142.79 117.17 9.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -118.22 178.29 4.49 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.86 169.87 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.792 1.237 . . . . 0.0 108.148 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -132.81 103.7 6.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mt -90.83 121.67 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -90.49 93.7 9.41 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.51 109.87 20.41 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -91.82 131.18 37.36 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.95 129.57 54.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.34 106.72 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -71.73 159.15 34.85 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.02 -10.59 57.76 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -87.1 36.8 0.74 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.284 1.434 . . . . 0.0 112.151 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.74 22.76 Favored Glycine 0 C--N 1.342 0.869 0 C-N-CA 125.497 1.522 . . . . 0.0 113.91 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p -155.62 160.46 40.46 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -133.2 167.45 20.34 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.532 0.682 . . . . 0.0 110.53 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.84 146.18 25.49 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.695 1.998 . . . . 0.0 106.034 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -134.04 129.08 35.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.693 -2.336 . . . . 0.0 104.693 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.9 129.44 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 126.493 1.917 . . . . 0.0 110.599 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -104.01 109.59 21.43 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -89.05 138.72 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -124.14 157.32 34.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.049 0.94 . . . . 0.0 110.367 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.15 -160.27 18.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 155.0 38.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.03 -47.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.419 0.688 . . . . 0.0 112.025 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.6 -43.26 97.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.564 0.746 . . . . 0.0 110.7 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.92 -65.66 0.65 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.634 1.174 . . . . 0.0 109.337 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.83 39.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.702 1.201 . . . . 0.0 112.683 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.0 m -66.35 -50.58 63.08 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -61.45 -35.86 78.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.317 0.647 . . . . 0.0 110.952 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.4 -41.57 76.24 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.867 0.867 . . . . 0.0 110.003 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.12 81.71 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -73.08 -29.01 62.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.627 0.771 . . . . 0.0 110.509 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.12 27.32 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.142 -0.974 . . . . 0.0 108.679 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.53 -41.22 89.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.111 0.564 . . . . 0.0 110.785 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.19 76.55 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.029 -0.419 . . . . 0.0 109.921 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -69.39 -36.05 76.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.056 0.543 . . . . 0.0 110.67 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -23.94 66.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.491 -0.755 . . . . 0.0 111.727 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.9 mt -101.97 -11.47 18.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.413 1.085 . . . . 0.0 111.923 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -58.03 -20.05 35.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 127.346 2.258 . . . . 0.0 114.452 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -59.43 -57.85 11.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.795 0.725 . . . . 0.0 109.544 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -90.87 -31.4 16.44 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.684 1.594 . . . . 0.0 113.406 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.46 -5.87 57.99 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.28 -175.57 42.62 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 123.86 0.743 . . . . 0.0 113.012 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -64.87 166.76 8.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.226 1.013 . . . . 0.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -147.51 168.23 22.45 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.456 1.102 . . . . 0.0 110.707 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 p -136.94 163.7 30.08 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.53 130.91 24.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 119.161 0.892 . . . . 0.0 112.568 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -100.14 111.18 23.47 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.883 -2.265 . . . . 0.0 104.883 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -82.25 125.81 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.87 173.58 11.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.999 0.92 . . . . 0.0 111.488 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 44.53 64.6 1.29 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.332 2.253 . . . . 0.0 112.343 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 59.28 15.81 4.54 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.505 1.522 . . . . 0.0 112.079 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.04 1.25 82.32 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.602 2.048 . . . . 0.0 110.886 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -75.5 -10.12 59.17 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.238 1.519 . . . . 0.0 111.013 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.4 m -132.68 126.36 32.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.05 131.16 57.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -110.08 91.31 3.6 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.84 115.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 125.291 1.437 . . . . 0.0 107.538 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.68 120.94 38.93 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -83.29 141.52 31.77 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.929 -1.487 . . . . 0.0 107.63 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 -13.84 20.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.709 1.204 . . . . 0.0 111.672 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.029 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -149.8 123.11 8.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -98.52 121.3 40.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 174.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.799 1.639 . . . . 0.0 109.275 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -131.95 134.02 45.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mt -121.22 124.71 72.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 97.48 10.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.47 1.508 . . . . 0.0 110.188 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.94 126.36 34.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.717 0.77 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -101.38 131.42 47.47 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.24 114.91 20.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.61 133.96 57.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.426 -2.065 . . . . 0.0 105.426 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -117.3 149.48 40.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.753 0.421 . . . . 0.0 110.814 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.42 -25.55 64.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.369 1.068 . . . . 0.0 110.332 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -53.18 -32.92 50.36 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.945 1.298 . . . . 0.0 111.431 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.71 -27.09 6.65 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.06 169.62 17.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.747 1.261 . . . . 0.0 110.439 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 p -137.43 159.98 40.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.025 2.13 . . . . 0.0 108.326 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -146.26 145.09 30.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.65 1.18 . . . . 0.0 108.296 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -118.2 139.35 51.42 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.301 1.04 . . . . 0.0 111.182 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.15 152.69 48.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.245 1.418 . . . . 0.0 108.61 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -143.99 109.8 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 127.033 2.133 . . . . 0.0 105.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.71 146.43 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -130.2 149.57 51.84 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 110.833 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.23 -161.21 23.56 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -62.15 151.0 37.08 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.84 -45.68 78.33 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.38 -44.23 84.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.006 0.922 . . . . 0.0 111.011 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -66.52 -59.32 3.75 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.506 1.123 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.41 -37.72 57.33 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.991 0.916 . . . . 0.0 111.989 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -60.7 -53.03 62.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.765 -0.584 . . . . 0.0 109.909 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -62.11 -35.69 79.47 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.522 1.055 . . . . 0.0 112.407 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.51 -41.74 94.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.607 0.64 . . . . 0.0 111.126 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.5 84.52 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 119.027 -0.511 . . . . 0.0 110.864 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -72.92 -31.2 64.47 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.253 0.933 . . . . 0.0 109.421 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.62 74.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -69.8 -45.63 67.49 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.83 -36.63 82.8 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.181 -0.949 . . . . 0.0 112.208 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.4 t -68.89 -21.07 64.26 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.103 0.865 . . . . 0.0 111.499 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.96 -0.31 27.06 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.294 -0.879 . . . . 0.0 113.092 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -64.66 -38.43 90.97 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.725 1.148 . . . . 0.0 112.701 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -79.43 -28.95 41.69 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.393 1.452 . . . . 0.0 109.264 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.26 -26.26 52.3 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 125.007 1.323 . . . . 0.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -130.74 -4.79 4.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.36 178.91 34.12 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 119.437 1.017 . . . . 0.0 113.219 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 157.64 17.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 122.189 0.995 . . . . 0.0 109.966 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -134.39 168.55 18.71 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 123.211 1.481 . . . . 0.0 111.544 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.46 152.59 43.14 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 130.214 3.406 . . . . 0.0 105.188 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.27 138.44 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -120.66 141.14 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.076 1.351 . . . . 0.0 108.022 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.69 102.65 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 126.816 2.046 . . . . 0.0 106.428 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.07 172.73 6.98 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.6 1.56 . . . . 0.0 110.635 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t0 43.28 57.62 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 129.062 2.945 . . . . 0.0 113.593 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 61.24 3.05 0.67 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.589 1.156 . . . . 0.0 112.964 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.84 -10.02 10.39 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 128.617 3.008 . . . . 0.0 110.944 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.25 -7.28 59.54 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.866 1.833 . . . . 0.0 114.858 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.9 m -123.96 131.04 53.51 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.69 131.34 56.15 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -115.74 91.85 3.73 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.03 105.16 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.536 1.534 . . . . 0.0 108.017 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -111.52 123.84 51.04 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.723 1.209 . . . . 0.0 109.163 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -92.02 163.0 14.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.184 1.394 . . . . 0.0 110.693 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.52 -19.44 12.12 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.125 0 N-CA-C 107.612 -2.195 . . . . 0.0 107.612 -178.338 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 mtm . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.13 96.7 3.0 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -89.53 -174.15 4.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.36 166.15 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 121.302 -0.874 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -128.5 96.8 4.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.943 -2.244 . . . . 0.0 104.943 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 mt -89.95 118.54 35.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -91.02 126.3 36.06 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.91 111.22 23.23 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -91.22 119.52 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.65 123.73 50.96 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 122.223 1.011 . . . . 0.0 109.752 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.99 113.3 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 127.67 2.388 . . . . 0.0 108.005 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.42 157.13 19.9 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.383 0.611 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -14.42 61.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.51 0.724 . . . . 0.0 111.433 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -91.42 7.18 42.38 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.108 1.763 . . . . 0.0 111.369 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.02 -20.6 28.18 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.354 0.978 . . . . 0.0 113.669 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -64.34 161.83 16.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.62 1.71 . . . . 0.0 110.211 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -144.23 129.35 18.64 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 121.185 -0.947 . . . . 0.0 109.753 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -127.35 145.05 50.94 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -123.21 138.17 54.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.52 49.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -129.9 118.97 22.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -113.89 140.36 48.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.939 1.696 . . . . 0.0 107.893 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -124.43 152.0 43.82 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.977 1.711 . . . . 0.0 108.455 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.08 -155.0 21.43 Favored Glycine 0 C--O 1.237 0.309 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.14 161.67 13.08 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -57.92 -54.67 44.29 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.857 -0.527 . . . . 0.0 109.893 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.21 -31.03 69.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.78 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.17 -55.63 30.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.292 0.951 . . . . 0.0 108.507 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.89 87.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.572 0.749 . . . . 0.0 110.069 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.6 m -59.95 -54.18 49.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.307 0.643 . . . . 0.0 109.475 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -33.1 72.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 111.594 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.58 -39.81 92.04 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.769 0.713 . . . . 0.0 110.219 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.36 93.76 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.75 -0.594 . . . . 0.0 110.097 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.05 -29.06 62.69 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -55.31 17.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.65 -46.77 77.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.744 1.218 . . . . 0.0 110.193 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.48 78.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.558 -0.714 . . . . 0.0 111.628 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.78 -34.02 73.19 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.866 -1.146 . . . . 0.0 109.868 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -5.57 12.55 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.049 1.34 . . . . 0.0 112.175 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -122.13 -14.02 8.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.481 1.512 . . . . 0.0 111.396 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.15 -25.26 58.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.517 1.527 . . . . 0.0 113.6 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.46 -61.34 2.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 120.721 1.6 . . . . 0.0 111.035 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.92 -25.43 37.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -89.21 -18.13 27.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.435 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.81 -179.22 44.23 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.887 1.232 . . . . 0.0 111.755 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.16 164.73 4.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 122.669 1.223 . . . . 0.0 111.748 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -144.66 170.48 16.0 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.119 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -132.85 172.66 12.3 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.86 155.78 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.99 141.19 48.16 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.0 t -103.2 134.27 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 125.924 1.69 . . . . 0.0 109.585 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.0 170.7 15.38 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.624 1.569 . . . . 0.0 107.975 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.86 43.74 25.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.869 1.668 . . . . 0.0 110.215 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 60.04 2.44 0.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.15 1.78 . . . . 0.0 113.331 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.43 -13.13 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.779 2.133 . . . . 0.0 111.818 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -76.02 -3.42 35.68 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.641 1.72 . . . . 0.0 113.175 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -133.29 133.84 43.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.49 131.43 52.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.77 120.68 40.09 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 mt -118.77 130.82 73.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.547 1.139 . . . . 0.0 108.056 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -123.63 120.39 32.64 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.19 0.596 . . . . 0.0 109.752 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -81.8 117.7 22.3 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 -10.15 59.75 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-N 119.641 1.11 . . . . 0.0 112.381 -179.567 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -156.14 138.89 15.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.809 1.643 . . . . 0.0 107.28 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -116.11 130.63 56.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.16 174.38 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 108.28 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -139.23 111.2 7.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.419 1.888 . . . . 0.0 106.991 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.73 132.09 54.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -99.99 140.88 33.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.27 117.99 28.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -85.51 125.75 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 102.735 -3.061 . . . . 0.0 102.735 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 104.35 12.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -100.31 126.79 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -111.37 142.24 43.86 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.44 65.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.061 1.344 . . . . 0.0 111.63 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.71 -5.26 23.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.887 0.875 . . . . 0.0 110.816 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.76 8.86 69.28 Favored Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.755 -1.215 . . . . 0.0 111.784 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -97.92 161.56 13.68 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.32 1.048 . . . . 0.0 108.538 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.3 p -143.63 158.03 43.97 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.607 -0.683 . . . . 0.0 110.339 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -152.09 148.02 27.17 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.125 1.77 . . . . 0.0 106.755 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -134.38 138.86 45.18 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 119.68 -1.888 . . . . 0.0 107.418 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.67 159.01 43.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.015 0.926 . . . . 0.0 110.16 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -126.79 147.84 49.98 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -135.98 138.91 42.75 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -121.64 156.98 31.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.51 0.724 . . . . 0.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.55 -148.09 19.47 Favored Glycine 0 C--N 1.329 0.188 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -75.03 166.54 23.5 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.11 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.59 -47.1 87.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.004 1.322 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.22 -54.37 41.79 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.68 -30.49 63.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.112 0.565 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -71.23 -55.6 7.77 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.488 -1.382 . . . . 0.0 109.329 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -36.0 81.54 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -29.6 68.93 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.088 1.313 . . . . 0.0 109.408 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.8 81.81 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -73.25 -31.96 64.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.88 81.69 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.81 -45.79 89.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.16 0.984 . . . . 0.0 109.128 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.81 69.96 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.96 -1.088 . . . . 0.0 111.663 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -62.9 -36.68 84.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 125.069 1.348 . . . . 0.0 113.394 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -33.41 75.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.139 0.881 . . . . 0.0 110.63 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -85.29 -6.95 59.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.695 1.198 . . . . 0.0 112.804 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -65.28 -7.08 11.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.846 1.658 . . . . 0.0 114.011 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -60.99 2.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 120.446 1.476 . . . . 0.0 109.392 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.22 -16.41 59.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.627 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -111.73 -11.8 13.93 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.995 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.91 -167.37 54.68 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -57.63 162.18 3.19 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.696 1.236 . . . . 0.0 112.141 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -150.88 167.66 26.84 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.647 1.579 . . . . 0.0 107.862 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.5 p -141.52 154.3 45.41 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.33 122.48 51.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 118.105 0.412 . . . . 0.0 110.356 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.4 141.7 30.17 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -96.53 121.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.971 0.908 . . . . 0.0 109.689 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 172.87 9.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.003 1.321 . . . . 0.0 109.332 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 t0 44.24 59.38 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 127.114 2.166 . . . . 0.0 111.964 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 54.48 12.03 0.49 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.78 13.7 13.69 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 118.279 -1.29 . . . . 0.0 112.031 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -111.47 -6.44 14.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.847 1.824 . . . . 0.0 112.205 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.6 m -129.61 107.22 9.28 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.383 1.073 . . . . 0.0 108.475 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.26 124.45 41.37 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -96.42 91.81 6.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.51 114.42 28.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 119.116 0.871 . . . . 0.0 108.654 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -127.57 132.77 49.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -94.13 154.17 17.73 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.742 1.617 . . . . 0.0 110.333 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.33 -8.05 13.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 O-C-N 121.192 -0.942 . . . . 0.0 113.775 179.169 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.97 81.56 8.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.438 1.017 . . . . 0.0 108.995 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -127.83 165.41 20.19 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.62 0.768 . . . . 0.0 109.894 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.73 173.64 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 128.863 2.865 . . . . 0.0 107.214 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -134.5 136.76 43.36 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.06 121.84 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -91.53 132.86 35.99 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.36 131.23 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.63 0.772 . . . . 0.0 109.846 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -104.15 118.93 37.83 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.28 111.32 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.912 1.285 . . . . 0.0 109.168 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.13 129.66 59.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 124.962 1.305 . . . . 0.0 107.56 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -105.02 158.45 16.54 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 123.872 0.869 . . . . 0.0 108.834 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -14.86 63.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.955 0.502 . . . . 0.0 110.188 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -74.22 0.93 12.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.054 1.741 . . . . 0.0 110.62 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.54 -41.93 2.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -59.55 160.17 7.41 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.673 1.189 . . . . 0.0 112.746 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.2 p -136.0 172.21 13.35 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 110.835 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -152.72 146.96 25.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.147 2.179 . . . . 0.0 107.131 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -125.26 138.85 54.1 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.67 163.1 27.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.199 1.399 . . . . 0.0 109.113 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -137.6 109.89 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.485 1.914 . . . . 0.0 106.427 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.78 143.76 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.149 1.38 . . . . 0.0 108.293 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -131.65 148.23 52.58 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.44 1.496 . . . . 0.0 110.731 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.18 -145.7 17.04 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.9 p -89.97 -176.56 4.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 117.756 0.778 . . . . 0.0 109.286 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -56.45 -63.55 1.16 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.364 1.066 . . . . 0.0 111.987 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.65 -34.87 74.93 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -58.28 -67.11 0.38 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.517 1.527 . . . . 0.0 111.592 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.22 95.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 124.515 1.135 . . . . 0.0 112.018 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 m -63.18 -45.48 91.61 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.164 -0.335 . . . . 0.0 110.201 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -67.5 -35.15 78.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.57 -40.15 92.47 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.15 82.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.345 0.52 . . . . 0.0 110.17 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.47 -31.16 63.62 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.471 0.578 . . . . 0.0 110.127 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.68 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 120.945 -1.097 . . . . 0.0 108.937 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -58.27 -46.06 86.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.754 2.022 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.12 -36.31 66.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.903 0.319 . . . . 0.0 110.164 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.78 -30.39 71.42 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.858 -1.151 . . . . 0.0 111.793 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -16.0 63.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.717 1.207 . . . . 0.0 112.162 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.46 -1.62 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 0.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -80.87 56.67 2.8 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 127.374 2.269 . . . . 0.0 110.314 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -152.28 -57.93 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.45 -20.78 53.94 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.725 -0.61 . . . . 0.0 111.941 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -105.9 -39.04 6.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.45 -179.35 16.45 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.38 159.72 23.5 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.434 0.635 . . . . 0.0 109.427 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -139.44 162.44 35.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.663 0.785 . . . . 0.0 110.039 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -127.19 163.45 23.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.18 157.23 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.274 0.559 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -138.67 121.23 16.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.18 130.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.11 174.13 10.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.24 1.016 . . . . 0.0 110.608 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.92 64.25 1.53 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 127.534 2.334 . . . . 0.0 111.449 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 58.5 4.25 0.34 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.433 1.493 . . . . 0.0 113.815 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.29 0.19 29.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 125.811 1.672 . . . . 0.0 112.23 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -87.74 -9.3 54.43 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.598 1.699 . . . . 0.0 112.559 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.6 m -123.41 114.79 20.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -105.88 129.07 54.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.9 110.83 21.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.47 127.18 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 120.526 1.512 . . . . 0.0 108.056 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -131.11 136.41 48.35 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.99 143.41 27.88 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.203 1.001 . . . . 0.0 109.143 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.38 -65.04 1.06 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.876 0.87 . . . . 0.0 109.189 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.18 160.32 35.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -166.74 -174.6 2.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.236 1.815 . . . . 0.0 110.018 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -131.38 175.88 10.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 C-N-CA 126.76 2.024 . . . . 0.0 111.131 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.47 136.61 52.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.574 1.549 . . . . 0.0 108.572 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mt -125.41 125.27 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.916 1.286 . . . . 0.0 108.192 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -96.42 93.93 7.12 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.649 1.18 . . . . 0.0 109.631 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.71 109.75 19.93 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -84.3 132.06 34.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 127.047 2.139 . . . . 0.0 105.961 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -116.67 114.67 24.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.153 0.981 . . . . 0.0 110.216 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.94 100.46 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.16 159.13 26.12 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.88 -0.513 . . . . 0.0 111.515 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.28 -26.75 63.95 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.53 9.16 1.47 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.825 0.85 . . . . 0.0 111.726 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.18 18.6 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.208 1.861 . . . . 0.0 113.712 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -57.43 153.0 13.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.667 1.587 . . . . 0.0 111.24 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -127.83 139.37 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.727 1.611 . . . . 0.0 109.78 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -152.55 146.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.103 -0.998 . . . . 0.0 109.66 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 m -132.09 138.75 48.25 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.093 -1.076 . . . . 0.0 108.093 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.88 107.95 4.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.582 1.953 . . . . 0.0 108.158 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.75 109.89 21.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -88.13 143.7 26.91 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 124.695 1.198 . . . . 0.0 109.24 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -125.29 147.45 49.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.371 1.068 . . . . 0.0 110.597 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.38 -162.69 22.05 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.297 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 151.65 17.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -55.7 -46.81 77.58 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.091 -0.381 . . . . 0.0 111.796 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -63.5 -46.42 86.18 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.86 -57.11 12.92 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.19 99.3 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.385 0.274 . . . . 0.0 111.607 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.7 m -63.07 -40.65 98.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -65.95 -36.93 84.7 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.199 1.0 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -73.28 -31.38 64.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.67 -0.644 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.51 96.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -73.1 -32.6 65.07 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.845 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.63 68.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.161 0.437 . . . . 0.0 109.842 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -71.3 -40.64 70.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.628 -0.67 . . . . 0.0 109.31 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.44 72.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.582 -0.699 . . . . 0.0 109.145 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.74 -37.14 85.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.865 1.266 . . . . 0.0 112.758 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.97 -14.69 63.19 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.646 1.112 . . . . 0.0 111.106 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.72 -10.81 14.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.483 1.113 . . . . 0.0 112.097 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.54 -44.23 76.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.757 1.223 . . . . 0.0 111.719 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -59.11 -23.14 61.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -117.92 -2.83 11.24 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.808 1.186 . . . . 0.0 114.021 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -127.34 -10.52 5.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.84 0.856 . . . . 0.0 113.037 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.11 38.6 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 125.425 1.488 . . . . 0.0 112.868 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.36 166.69 16.11 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -142.73 160.6 40.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.746 0.818 . . . . 0.0 111.185 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.29 147.97 49.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -121.56 146.47 26.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 123.315 0.646 . . . . 0.0 111.752 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -115.51 124.84 52.09 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.836 -1.912 . . . . 0.0 105.836 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 109.78 17.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.11 162.31 18.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.715 1.206 . . . . 0.0 108.866 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.36 48.23 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 112.436 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.5 24.12 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.427 -0.795 . . . . 0.0 112.122 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.57 -9.05 60.44 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.863 2.173 . . . . 0.0 112.291 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.12 -7.14 50.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.225 2.012 . . . . 0.0 111.033 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.6 m -138.48 132.85 31.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -126.42 123.56 38.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.17 94.44 5.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.9 mt -91.71 112.75 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.83 1.252 . . . . 0.0 107.745 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 135.8 54.47 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.11 147.82 25.48 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.67 1.188 . . . . 0.0 112.035 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.47 -7.76 21.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.657 1.583 . . . . 0.0 112.479 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -178.578 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttm . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -131.75 77.12 1.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -113.71 161.58 17.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.453 1.501 . . . . 0.0 109.202 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.09 167.27 26.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.552 1.541 . . . . 0.0 107.495 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.3 m -126.82 108.26 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.76 120.81 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -91.51 134.59 34.52 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.3 136.6 52.99 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.628 1.571 . . . . 0.0 107.649 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -117.48 132.29 56.58 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.789 2.036 . . . . 0.0 107.412 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -117.51 126.34 52.42 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.249 1.42 . . . . 0.0 107.368 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.68 107.81 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -88.01 158.74 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.136 0.974 . . . . 0.0 112.11 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.645 1.178 . . . . 0.0 108.749 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.21 2.95 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.898 2.079 . . . . 0.0 110.807 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.42 -4.49 49.37 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 120.897 -1.127 . . . . 0.0 112.467 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -81.64 160.28 23.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.512 1.525 . . . . 0.0 108.677 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -134.56 156.16 49.16 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -152.28 146.0 25.05 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -130.96 134.78 47.04 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 163.35 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.158 1.383 . . . . 0.0 108.664 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -141.5 132.29 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.5 127.79 45.89 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -111.02 158.28 18.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.935 0.894 . . . . 0.0 109.204 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.62 -149.73 19.11 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 107.489 -2.244 . . . . 0.0 107.489 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 p -77.23 156.71 31.29 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.6 -53.23 32.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.707 1.203 . . . . 0.0 113.639 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.77 -39.02 87.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.009 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -59.43 5.43 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.751 0.82 . . . . 0.0 109.941 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.1 65.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.394 0.678 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -68.38 -43.46 77.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.996 -0.44 . . . . 0.0 110.34 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -35.74 81.42 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.092 -1.005 . . . . 0.0 111.61 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.27 -40.27 95.64 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.908 0.883 . . . . 0.0 109.466 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.2 93.34 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.39 -28.75 62.19 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.845 -0.534 . . . . 0.0 110.785 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.28 21.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.995 1.318 . . . . 0.0 108.755 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.24 -34.87 75.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.7 65.79 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.622 -1.299 . . . . 0.0 110.458 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.47 -36.5 82.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.76 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -68.0 -39.1 83.29 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.459 1.027 . . . . 0.0 109.039 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.81 -26.3 66.0 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.869 0.868 . . . . 0.0 111.05 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.11 -22.84 61.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -60.06 3.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.718 0.69 . . . . 0.0 112.301 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.05 -23.17 21.52 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.96 -20.43 21.38 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.635 0.652 . . . . 0.0 112.602 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.88 -170.77 32.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.46 165.7 3.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.196 0.998 . . . . 0.0 111.298 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -148.6 160.94 42.63 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.931 1.292 . . . . 0.0 109.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 p -124.48 173.3 8.54 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.318 1.847 . . . . 0.0 107.639 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.34 132.29 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.91 127.45 41.95 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.7 t -100.21 117.73 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.55 170.76 15.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.137 1.775 . . . . 0.0 107.699 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.79 34.63 10.47 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.96 1.704 . . . . 0.0 112.292 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 58.39 28.72 17.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.241 1.416 . . . . 0.0 112.173 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.85 69.61 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.037 -1.424 . . . . 0.0 114.339 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.45 -9.2 59.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.531 2.166 . . . . 0.0 113.387 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 m -132.78 113.29 12.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.1 mt -100.6 132.52 45.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -124.73 100.19 6.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -98.54 136.83 27.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -131.88 125.76 32.53 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -81.32 133.52 35.44 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.351 0.596 . . . . 0.0 111.393 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.46 -21.65 66.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.71 1.604 . . . . 0.0 112.564 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.677 0 C-N-CA 125.313 1.435 . . . . 0.0 110.924 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.2 141.5 17.51 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.997 0.903 . . . . 0.0 109.308 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -101.34 134.88 43.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 128.034 2.534 . . . . 0.0 104.528 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.95 175.14 11.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 125.509 1.524 . . . . 0.0 109.234 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.07 110.49 12.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -96.74 117.77 41.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -91.0 108.13 19.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.05 111.57 23.55 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.382 1.073 . . . . 0.0 109.616 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -87.35 131.58 34.23 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -122.18 126.59 48.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.86 119.43 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -90.06 154.67 19.62 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.45 65.81 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.445 0.298 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.16 -3.0 23.86 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.608 0.718 . . . . 0.0 109.91 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.9 -10.48 74.42 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 127.881 2.658 . . . . 0.0 114.717 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -64.83 151.15 46.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.52 1.128 . . . . 0.0 111.33 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -117.48 143.26 46.23 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.998 0.919 . . . . 0.0 110.766 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -149.96 146.74 27.2 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.252 1.821 . . . . 0.0 109.796 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.67 139.99 52.37 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.469 0.707 . . . . 0.0 109.783 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 154.61 43.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.5 2.32 . . . . 0.0 107.279 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -135.82 109.77 8.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -97.48 129.81 44.63 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -110.85 153.77 24.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.691 1.596 . . . . 0.0 108.895 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.35 -155.9 20.63 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -70.6 161.55 30.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.16 -50.46 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.658 0.783 . . . . 0.0 110.552 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -59.73 -48.68 80.71 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.08 0.952 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -55.05 -57.16 12.84 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 124.887 1.275 . . . . 0.0 110.012 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.91 71.06 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.545 1.138 . . . . 0.0 111.302 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -68.37 -47.68 66.75 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -61.31 -35.63 77.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.907 0.483 . . . . 0.0 110.29 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.19 -41.3 98.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 118.332 0.514 . . . . 0.0 110.168 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.14 93.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.981 0.355 . . . . 0.0 110.8 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.69 -31.43 63.43 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.835 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.23 59.74 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.823 1.249 . . . . 0.0 109.182 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.8 -47.2 86.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.114 1.366 . . . . 0.0 109.323 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.24 -30.38 70.41 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.427 -0.796 . . . . 0.0 111.28 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.04 -36.39 83.83 Favored 'General case' 0 C--O 1.228 -0.053 0 CA-C-N 118.325 0.511 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -22.97 64.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.874 0.307 . . . . 0.0 111.277 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.03 -12.76 24.43 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 124.083 0.953 . . . . 0.0 112.013 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.74 -9.08 3.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.038 2.135 . . . . 0.0 113.608 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -78.56 -73.53 0.32 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.98 -12.94 61.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.395 0.998 . . . . 0.0 113.316 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -105.97 -9.6 17.0 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.914 0.779 . . . . 0.0 111.467 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.04 49.99 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.16 161.7 5.08 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 122.564 1.173 . . . . 0.0 110.479 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -134.88 164.69 27.02 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.765 0.793 . . . . 0.0 111.274 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.3 p -126.05 157.72 37.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.74 163.47 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 118.722 0.692 . . . . 0.0 111.178 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.41 141.88 32.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.202 2.201 . . . . 0.0 106.865 178.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.08 133.39 50.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.109 0.964 . . . . 0.0 108.476 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.26 166.75 23.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 46.4 45.13 13.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.257 1.423 . . . . 0.0 111.866 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 52.18 39.23 26.4 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.471 1.908 . . . . 0.0 111.58 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.92 72.43 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-O 118.217 -1.324 . . . . 0.0 113.351 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.02 -13.22 61.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.965 1.883 . . . . 0.0 110.08 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -129.28 123.14 31.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.18 133.33 56.14 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -118.95 97.2 5.58 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.484 0.713 . . . . 0.0 109.756 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.95 119.68 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 108.579 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 117.21 30.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.409 1.484 . . . . 0.0 107.597 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -79.91 136.08 36.57 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.812 0.845 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.16 -20.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.431 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.367 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -152.2 136.94 17.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -106.21 169.85 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.843 1.257 . . . . 0.0 109.543 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.88 170.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 126.283 1.833 . . . . 0.0 107.16 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -132.26 140.2 48.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.63 117.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -92.73 111.47 23.08 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.81 112.02 24.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.074 0.94 . . . . 0.0 108.636 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -85.1 129.34 34.82 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 119.18 32.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -114.54 100.63 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 125.492 1.517 . . . . 0.0 108.503 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -71.31 154.19 41.8 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.715 0.806 . . . . 0.0 109.731 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.05 61.89 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.601 1.161 . . . . 0.0 109.71 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -62.33 -22.26 65.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.204 1.402 . . . . 0.0 113.139 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.1 -21.76 10.04 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.702 1.144 . . . . 0.0 113.159 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 t -70.13 177.14 3.38 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 0.0 110.423 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.06 147.33 32.46 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 127.001 2.12 . . . . 0.0 106.821 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -151.59 145.89 25.44 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.42 135.63 48.92 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.03 160.76 30.93 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.525 1.53 . . . . 0.0 108.685 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.48 149.14 43.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -137.13 129.36 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -117.34 146.26 43.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.757 1.223 . . . . 0.0 108.874 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.88 -156.35 24.25 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.52 154.69 40.83 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.62 -42.18 82.83 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -60.24 -24.33 64.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.662 1.185 . . . . 0.0 111.971 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -90.36 -55.85 3.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.92 69.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.391 0.676 . . . . 0.0 111.373 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m -65.05 -45.48 85.2 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.414 -0.804 . . . . 0.0 109.428 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -63.45 -35.93 82.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.251 0.62 . . . . 0.0 111.121 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.98 -38.74 69.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.216 0.607 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.39 80.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.298 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.29 -32.28 64.55 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.23 82.72 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.907 -1.12 . . . . 0.0 111.134 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -62.39 -50.71 70.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.211 1.004 . . . . 0.0 110.15 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -31.25 71.65 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.842 -0.536 . . . . 0.0 112.041 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -36.74 84.72 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.935 -0.478 . . . . 0.0 112.203 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -5.58 40.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.568 -0.708 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -107.55 -24.53 11.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.217 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -53.21 -34.04 55.33 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.891 2.477 . . . . 0.0 114.247 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.7 -33.05 67.98 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.43 -24.68 9.17 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.207 0.912 . . . . 0.0 111.706 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -84.26 -19.91 33.09 Favored 'General case' 0 C--O 1.226 -0.143 0 O-C-N 121.28 -0.887 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.04 -171.73 35.95 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.37 160.3 16.35 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 122.473 1.13 . . . . 0.0 109.897 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -134.49 168.8 18.29 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.188 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -133.46 168.61 18.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 127.016 2.126 . . . . 0.0 105.654 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -141.96 158.06 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.143 -0.973 . . . . 0.0 110.397 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -141.75 118.96 11.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 p -82.58 133.96 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.568 1.547 . . . . 0.0 109.726 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.56 162.54 34.83 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.178 1.391 . . . . 0.0 108.772 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 55' ' ' GLY . 73.1 m-20 51.55 48.96 21.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.516 1.126 . . . . 0.0 109.782 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 66.79 -9.73 0.33 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.246 1.819 . . . . 0.0 112.0 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 127.82 -0.84 6.78 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 129.073 3.225 . . . . 0.0 111.622 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -67.55 -16.13 64.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.058 1.429 . . . . 0.0 110.004 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -129.56 130.89 46.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -123.88 132.51 53.76 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.641 1.176 . . . . 0.0 109.215 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -107.65 111.21 23.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mt -116.92 125.0 73.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -126.11 136.71 53.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.069 1.347 . . . . 0.0 107.947 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -103.28 132.12 49.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.481 1.113 . . . . 0.0 109.448 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.5 -59.2 2.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.873 0.869 . . . . 0.0 112.387 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 126.736 2.112 . . . . 0.0 108.786 -179.345 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -147.94 108.57 4.16 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.379 1.872 . . . . 0.0 106.804 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -153.54 175.43 13.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 111.085 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 m -136.23 175.28 10.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 127.031 2.132 . . . . 0.0 109.274 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 m -130.7 140.49 50.36 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.547 1.539 . . . . 0.0 106.947 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -124.84 120.09 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -91.16 96.12 10.42 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.328 1.451 . . . . 0.0 107.472 -179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.25 112.38 22.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.822 0.82 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.48 131.14 34.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 103.652 -2.722 . . . . 0.0 103.652 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mt -121.95 124.64 44.51 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.07 100.52 7.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -76.69 152.99 35.54 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.992 1.317 . . . . 0.0 111.623 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.47 74.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.685 1.594 . . . . 0.0 110.9 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.07 -19.92 55.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.264 1.025 . . . . 0.0 111.104 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.3 -10.91 43.47 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.214 1.388 . . . . 0.0 110.092 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -73.98 160.41 31.37 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 118.009 0.905 . . . . 0.0 108.954 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 p -128.64 157.91 40.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -151.94 147.07 26.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.079 1.352 . . . . 0.0 107.671 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -129.99 133.73 46.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.22 114.81 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.325 1.45 . . . . 0.0 108.192 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -97.24 109.62 22.34 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -92.92 136.66 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -127.41 154.85 44.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.96 1.304 . . . . 0.0 111.264 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.84 -152.24 17.99 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 125.291 1.424 . . . . 0.0 109.69 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 p -67.95 159.13 31.23 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.511 -0.994 . . . . 0.0 109.407 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -53.56 -51.32 63.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.28 1.032 . . . . 0.0 109.966 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.52 -54.54 35.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.808 1.643 . . . . 0.0 111.602 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.74 -63.45 1.29 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.104 1.762 . . . . 0.0 111.026 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.91 68.59 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.451 0.7 . . . . 0.0 112.645 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -68.29 -49.59 59.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.762 -0.586 . . . . 0.0 109.492 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -65.61 -35.34 80.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.34 0.518 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.03 -41.19 91.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.313 1.045 . . . . 0.0 110.818 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.22 91.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.456 0.302 . . . . 0.0 110.283 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -73.07 -32.48 65.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.87 66.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.065 0.946 . . . . 0.0 109.977 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -71.85 -44.22 64.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.01 76.63 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.581 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -35.47 77.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 111.403 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -9.15 52.19 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 110.332 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.2 mt -106.63 -13.75 15.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.882 1.673 . . . . 0.0 111.144 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.11 -28.14 66.25 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.26 1.824 . . . . 0.0 115.869 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.35 -41.65 89.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.182 1.355 . . . . 0.0 113.65 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.15 -22.51 12.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.093 0.86 . . . . 0.0 113.138 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -93.6 -20.64 20.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 -170.38 42.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -66.34 169.45 7.3 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.41 1.1 . . . . 0.0 111.525 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -151.38 173.42 14.54 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.581 1.553 . . . . 0.0 109.486 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 p -132.29 167.41 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.5 132.56 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 122.087 -0.383 . . . . 0.0 111.631 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.97 141.18 37.79 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -104.27 112.29 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.87 174.03 8.22 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.981 1.313 . . . . 0.0 111.116 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 45.63 57.21 5.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.604 1.962 . . . . 0.0 110.019 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 57.87 1.42 0.14 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.62 14.25 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.074 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -108.9 -8.39 15.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.236 1.518 . . . . 0.0 112.56 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.6 m -126.27 103.19 7.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 120.076 1.307 . . . . 0.0 107.755 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.6 mt -93.82 131.58 39.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.72 95.59 5.41 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.7 mt -97.25 129.85 46.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.22 124.85 31.46 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.57 127.61 33.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.352 0.661 . . . . 0.0 110.256 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.05 -59.05 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.73 1.612 . . . . 0.0 108.666 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 122.917 0.294 . . . . 0.0 113.447 179.469 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 ttp . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.18 111.64 2.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -132.52 173.18 11.58 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.998 1.319 . . . . 0.0 109.691 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.79 172.59 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 127.102 2.161 . . . . 0.0 107.323 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -126.63 133.49 50.99 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.08 132.65 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -110.9 139.57 46.12 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.43 119.16 31.28 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.691 0.797 . . . . 0.0 110.173 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -84.77 131.07 34.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -111.98 115.01 28.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.69 105.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -85.49 159.17 19.99 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.109 0.564 . . . . 0.0 112.375 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.62 68.64 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -71.63 6.82 1.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.466 1.906 . . . . 0.0 111.905 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.57 -15.46 7.53 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 120.07 -1.644 . . . . 0.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 p -72.06 159.54 34.01 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.666 1.586 . . . . 0.0 109.691 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 p -133.24 155.49 49.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.774 0.83 . . . . 0.0 109.778 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -152.26 146.93 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.71 2.004 . . . . 0.0 106.176 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -122.12 137.96 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.3 150.41 43.59 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -137.39 144.77 42.62 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.73 147.15 40.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.691 1.596 . . . . 0.0 108.169 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -129.54 148.92 51.49 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.447 2.299 . . . . 0.0 107.198 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.58 -155.83 24.97 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.4 p -69.57 162.66 27.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.27 -48.57 80.05 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.16 -51.22 70.53 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.837 1.255 . . . . 0.0 111.267 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -62.87 -58.99 5.5 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.576 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -42.19 62.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.745 0.702 . . . . 0.0 111.071 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -61.77 -48.94 78.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -63.01 -35.13 79.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.21 0.604 . . . . 0.0 112.187 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.66 -41.75 99.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.398 0.999 . . . . 0.0 109.905 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.26 77.36 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.125 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -74.28 -31.33 62.49 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.163 -0.336 . . . . 0.0 110.33 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.9 89.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -64.99 -48.79 72.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.074 0.949 . . . . 0.0 108.482 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.39 70.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 111.677 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -36.35 82.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.152 1.381 . . . . 0.0 112.111 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -34.65 78.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.689 -0.632 . . . . 0.0 110.357 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -83.33 -15.22 50.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.865 1.266 . . . . 0.0 112.819 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -57.71 -27.75 63.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.502 1.521 . . . . 0.0 113.804 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.23 -61.15 1.98 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.736 1.153 . . . . 0.0 111.478 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.27 -17.85 47.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -104.96 -14.26 15.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.174 0.897 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.98 -164.83 32.69 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 119.266 0.939 . . . . 0.0 114.46 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.93 162.62 6.72 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 122.092 0.948 . . . . 0.0 110.236 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -147.02 154.25 40.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.475 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.4 p -141.98 118.73 11.09 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 127.319 2.248 . . . . 0.0 108.16 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -94.69 143.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.73 141.61 45.13 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.87 126.02 46.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 109.62 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.85 152.46 47.84 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 50.87 42.06 27.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.869 1.268 . . . . 0.0 110.358 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 65.97 -1.41 1.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.714 2.006 . . . . 0.0 113.062 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.0 5.52 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 126.333 1.921 . . . . 0.0 110.463 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -62.28 -12.88 23.13 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 119.727 1.763 . . . . 0.0 111.811 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -129.27 101.88 6.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -96.55 112.13 23.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -94.45 91.06 6.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.0 mt -88.78 101.91 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.804 1.641 . . . . 0.0 109.295 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -103.34 137.1 41.92 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.625 1.97 . . . . 0.0 112.417 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.47 138.46 34.87 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.638 1.175 . . . . 0.0 111.873 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.45 -16.09 33.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.246 0.618 . . . . 0.0 111.367 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -178.396 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.018 -0.515 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -143.63 123.56 13.53 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -142.93 150.37 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.254 1.022 . . . . 0.0 109.719 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.2 m -138.34 162.93 29.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 124.773 1.229 . . . . 0.0 108.213 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -108.32 118.62 37.24 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.401 1.08 . . . . 0.0 108.36 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -106.02 121.22 58.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -91.37 135.04 34.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.78 118.63 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -97.87 116.2 29.61 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -115.97 103.47 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.898 0.879 . . . . 0.0 109.929 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.81 125.83 45.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.06 151.48 19.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.6 50.79 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -90.35 16.13 9.32 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.967 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.98 -5.94 80.92 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.575 1.083 . . . . 0.0 113.633 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -99.64 175.78 5.7 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 118.748 1.274 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -145.89 172.4 13.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.392 1.077 . . . . 0.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.97 137.21 18.45 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -134.21 138.54 45.17 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.29 162.08 36.39 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.649 0.78 . . . . 0.0 111.689 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.57 109.16 7.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -102.47 144.47 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.28 167.42 16.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 123.444 0.697 . . . . 0.0 111.526 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.02 -158.34 20.93 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 p -64.17 158.79 22.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -50.46 -51.26 48.55 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.279 1.032 . . . . 0.0 111.938 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.23 -35.29 80.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -69.41 -52.92 22.28 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 119.244 0.929 . . . . 0.0 110.413 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -26.14 68.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 118.464 -1.294 . . . . 0.0 110.727 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -66.21 -54.61 23.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -62.4 -35.43 79.17 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.27 -44.71 96.79 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 119.073 0.851 . . . . 0.0 110.473 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.19 90.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.67 -30.85 63.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.421 -0.8 . . . . 0.0 111.601 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.31 78.29 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.594 1.558 . . . . 0.0 109.361 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.2 -45.82 68.98 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.124 0.969 . . . . 0.0 109.842 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -31.86 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.41 -0.806 . . . . 0.0 110.89 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.78 -36.89 83.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.842 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -76.84 7.74 4.45 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.399 1.0 . . . . 0.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.95 -10.22 7.7 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.39 1.876 . . . . 0.0 109.996 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -64.34 -20.91 66.41 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.852 1.661 . . . . 0.0 114.84 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -84.27 -35.7 23.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.399 0.999 . . . . 0.0 111.672 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -92.21 -16.85 25.66 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.477 0.711 . . . . 0.0 112.586 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -117.23 -11.58 10.63 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.69 -173.05 39.73 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 121.812 0.673 . . . . 0.0 112.559 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -64.75 162.84 15.18 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.3 p-90 -141.58 158.2 44.13 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.804 0.812 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -113.12 158.14 20.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.1 147.8 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.48 136.24 46.56 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.54 105.8 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.519 1.528 . . . . 0.0 107.249 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.0 -178.29 4.13 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.786 1.235 . . . . 0.0 109.436 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 42.2 59.22 2.71 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.337 2.255 . . . . 0.0 111.718 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 53.0 17.06 0.82 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.41 7.64 48.49 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 120.916 -1.115 . . . . 0.0 111.938 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.83 -10.44 19.09 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.977 1.388 . . . . 0.0 112.585 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.2 m -131.67 119.34 21.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 120.483 1.492 . . . . 0.0 108.506 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -104.8 131.08 52.7 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.085 1.354 . . . . 0.0 107.899 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -107.17 97.46 7.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.82 132.38 45.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -131.44 130.3 42.34 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 121.072 -1.017 . . . . 0.0 109.587 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.35 141.71 29.0 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 -17.98 15.06 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.43 174.86 4.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 111.187 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 m -129.11 133.68 47.75 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -118.79 132.6 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -110.47 109.52 19.91 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.451 1.1 . . . . 0.0 109.476 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.46 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -106.75 121.47 44.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 103.148 -2.908 . . . . 0.0 103.148 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.17 121.86 46.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.97 109.89 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 126.407 1.883 . . . . 0.0 106.873 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -83.33 155.45 23.55 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.199 0.6 . . . . 0.0 111.811 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -24.45 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.496 0.318 . . . . 0.0 110.764 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -66.73 -27.59 67.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 109.456 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.34 -12.26 19.16 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 126.023 1.773 . . . . 0.0 112.983 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.03 170.17 13.41 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 118.641 1.221 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.86 160.11 39.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.779 0.832 . . . . 0.0 109.352 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.05 145.94 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 126.106 1.762 . . . . 0.0 107.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.81 138.47 54.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.87 117.3 12.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 121.668 -0.645 . . . . 0.0 109.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -96.49 133.34 41.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -122.04 144.06 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.921 1.688 . . . . 0.0 106.642 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -127.6 148.83 50.36 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.245 1.018 . . . . 0.0 108.613 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.35 -161.4 26.06 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -67.32 163.99 19.44 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.647 -0.913 . . . . 0.0 109.784 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -53.62 -40.66 65.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.414 1.486 . . . . 0.0 110.416 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -73.52 -46.28 48.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.237 1.415 . . . . 0.0 111.977 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -54.62 36.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.402 1.081 . . . . 0.0 111.585 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.24 66.95 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.53 0.604 . . . . 0.0 111.388 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -68.22 -44.62 75.33 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.679 0.672 . . . . 0.0 109.644 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.9 t -60.19 -36.17 77.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.299 0.64 . . . . 0.0 110.979 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.98 -37.65 66.95 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.714 0.806 . . . . 0.0 110.605 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.03 93.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.99 -29.41 63.01 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.24 -0.41 . . . . 0.0 109.917 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.3 70.79 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 119.475 1.034 . . . . 0.0 109.271 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.77 -46.82 87.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.36 90.83 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.588 -0.695 . . . . 0.0 111.039 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.51 -37.36 87.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 117.79 -1.1 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -37.47 77.65 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.32 -17.05 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.965 0.506 . . . . 0.0 112.263 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -23.22 61.84 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.785 0.834 . . . . 0.0 113.187 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.58 -39.64 67.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.643 1.11 . . . . 0.0 112.51 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.52 -3.13 25.71 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -125.66 -9.71 6.77 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.181 0.992 . . . . 0.0 112.622 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.96 -178.02 53.7 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 121.836 0.687 . . . . 0.0 113.149 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.5 153.47 15.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.608 -0.796 . . . . 0.0 109.802 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -137.6 167.56 21.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.434 1.112 . . . . 0.0 111.426 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -123.3 158.42 31.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.09 144.97 25.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.92 141.79 51.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.54 1.136 . . . . 0.0 110.459 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.49 120.03 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.339 1.456 . . . . 0.0 109.367 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.57 164.27 26.2 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.781 1.232 . . . . 0.0 108.185 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.24 53.21 8.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.558 1.543 . . . . 0.0 110.632 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 57.07 18.72 4.21 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.722 1.609 . . . . 0.0 114.663 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.77 -13.73 45.96 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.507 1.527 . . . . 0.0 112.501 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.43 -12.96 61.32 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.316 1.058 . . . . 0.0 111.513 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.8 m -127.79 129.09 46.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -122.74 131.52 53.82 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.693 0.797 . . . . 0.0 108.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.92 120.83 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -123.34 122.23 64.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -121.14 127.64 51.76 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -85.49 125.78 33.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.28 58.57 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.245 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.66 1.6 . . . . 0.0 110.68 -179.76 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 121.216 0.532 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.62 173.78 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 128.207 2.603 . . . . 0.0 108.13 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -135.41 100.74 4.6 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.029 0.932 . . . . 0.0 109.221 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.0 mt -92.51 131.99 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -102.32 138.11 39.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 126.984 2.114 . . . . 0.0 109.16 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.71 119.67 32.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.792 1.237 . . . . 0.0 109.716 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -98.61 116.77 31.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.76 104.36 14.65 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.301 1.44 . . . . 0.0 108.383 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.46 103.01 14.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -77.62 157.7 30.12 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.388 -0.82 . . . . 0.0 111.692 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.08 92.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.303 0.641 . . . . 0.0 109.818 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -63.36 -7.67 7.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.928 2.091 . . . . 0.0 114.253 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.32 -17.74 58.09 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.837 1.208 . . . . 0.0 114.703 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -76.58 174.87 9.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.606 1.703 . . . . 0.0 107.048 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -143.81 162.96 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.499 1.12 . . . . 0.0 109.874 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -150.13 145.64 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -133.28 138.33 46.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.54 163.9 32.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.33 153.28 51.9 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.7 134.83 43.54 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 127.063 2.145 . . . . 0.0 106.852 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -116.14 140.84 48.88 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.609 1.164 . . . . 0.0 108.527 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.12 -156.06 26.81 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.53 159.38 34.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.22 -45.59 79.84 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.693 -0.63 . . . . 0.0 110.243 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -70.73 -11.9 61.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.675 1.19 . . . . 0.0 112.076 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -62.66 1.45 Allowed 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.74 84.76 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.558 1.143 . . . . 0.0 113.494 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -64.5 -45.68 86.25 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -66.91 -36.37 82.1 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.512 1.125 . . . . 0.0 112.44 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.48 -31.96 60.41 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.243 -0.911 . . . . 0.0 110.047 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.42 83.09 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.98 -30.9 64.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.36 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.41 77.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -61.39 -41.17 96.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.086 0.954 . . . . 0.0 110.345 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.6 82.29 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.58 -36.17 82.97 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.044 -1.035 . . . . 0.0 112.896 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -67.56 -37.62 82.91 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.508 1.049 . . . . 0.0 108.947 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.8 -18.15 62.75 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.315 1.046 . . . . 0.0 113.189 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -54.81 -25.4 28.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.952 1.301 . . . . 0.0 111.961 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -51.56 -37.21 48.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.875 2.07 . . . . 0.0 112.55 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -126.84 -17.65 4.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.065 0.946 . . . . 0.0 112.281 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -96.49 -8.8 31.15 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.76 -170.56 51.21 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 119.306 0.957 . . . . 0.0 113.282 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -57.61 158.06 6.43 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.723 1.209 . . . . 0.0 110.542 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -151.43 164.37 36.88 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.091 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.6 p -134.36 172.77 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.841 1.656 . . . . 0.0 107.528 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.61 153.2 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.284 1.034 . . . . 0.0 108.868 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 116.19 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.4 t -83.55 111.03 19.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.554 1.542 . . . . 0.0 108.767 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.78 173.72 10.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.735 1.214 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.42 36.22 19.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.986 1.714 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 67.44 21.84 9.53 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.24 2.216 . . . . 0.0 111.101 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.14 -1.9 63.16 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.418 1.485 . . . . 0.0 111.612 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -81.34 -9.76 59.68 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.541 1.671 . . . . 0.0 111.885 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.5 m -134.46 121.18 20.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.22 127.28 54.88 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.832 1.653 . . . . 0.0 107.55 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -108.73 99.19 8.58 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.9 mt -95.89 132.88 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.745 1.618 . . . . 0.0 107.063 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -131.03 136.18 48.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.53 150.04 24.96 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.357 1.063 . . . . 0.0 110.394 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.44 -13.32 18.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.443 1.497 . . . . 0.0 113.855 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -178.232 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.69 167.57 12.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.559 1.144 . . . . 0.0 108.017 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 m -132.91 101.29 5.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.5 124.85 48.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.497 1.119 . . . . 0.0 108.194 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -91.64 140.03 30.12 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.29 111.7 17.69 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -86.8 120.63 28.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -113.06 117.73 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.13 114.19 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -79.84 147.75 31.63 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.842 0.829 . . . . 0.0 110.343 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -22.47 61.7 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.695 1.198 . . . . 0.0 108.9 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -66.13 -23.63 66.52 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.129 0.571 . . . . 0.0 111.328 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.58 -17.73 7.31 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 125.334 1.445 . . . . 0.0 113.484 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -85.05 172.09 11.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.119 1.459 . . . . 0.0 113.095 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -136.09 156.76 48.24 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.289 1.436 . . . . 0.0 108.831 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -151.55 146.51 25.92 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.535 1.934 . . . . 0.0 107.241 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -123.16 138.61 54.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.21 156.14 49.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.606 1.563 . . . . 0.0 107.276 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -134.96 132.8 38.82 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -118.5 130.24 55.82 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 125.265 1.426 . . . . 0.0 109.068 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -114.78 157.56 23.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.918 1.287 . . . . 0.0 108.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.7 -165.04 21.68 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 p -70.98 170.42 12.81 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.116 0.958 . . . . 0.0 108.558 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -55.99 -47.73 77.18 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.189 -0.319 . . . . 0.0 110.514 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.91 -44.92 96.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.615 1.166 . . . . 0.0 111.226 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.2 -63.87 1.11 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.854 1.262 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.87 63.29 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.963 0.905 . . . . 0.0 111.729 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -53.42 51.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.034 0.533 . . . . 0.0 110.572 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -62.8 -36.5 83.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.846 0.458 . . . . 0.0 111.812 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -69.68 -36.26 75.84 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.76 -0.587 . . . . 0.0 110.61 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.32 97.22 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.03 0.377 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.79 -31.67 65.03 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.306 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.86 84.07 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.94 -37.31 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.347 0.659 . . . . 0.0 110.734 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.75 51.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.29 -36.73 78.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.063 0.945 . . . . 0.0 112.055 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.5 t -71.24 -8.56 54.44 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.047 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.7 mt -108.63 -17.82 13.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.28 1.832 . . . . 0.0 109.574 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -59.55 -21.27 60.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.749 2.02 . . . . 0.0 112.596 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -73.09 -32.56 65.06 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.73 1.15 . . . . 0.0 112.02 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -101.85 -19.89 15.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.866 0.757 . . . . 0.0 112.567 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -102.01 -15.82 16.66 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.28 -176.52 46.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.09 165.8 1.78 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.532 1.158 . . . . 0.0 112.111 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -142.42 163.55 32.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.541 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -121.26 157.67 29.79 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.2 143.4 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -120.79 141.31 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.956 1.302 . . . . 0.0 108.295 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -102.37 111.53 32.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.82 179.6 4.75 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.103 1.761 . . . . 0.0 111.992 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 48.29 51.17 15.42 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.042 1.737 . . . . 0.0 109.878 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 56.38 10.33 0.65 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.137 1.775 . . . . 0.0 114.142 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.58 -9.4 12.98 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.291 1.9 . . . . 0.0 113.155 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.63 -7.5 59.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.193 1.497 . . . . 0.0 113.465 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -135.48 129.96 33.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 120.357 1.435 . . . . 0.0 109.199 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.7 131.26 56.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.945 1.698 . . . . 0.0 106.916 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -110.81 91.87 3.83 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.1 mt -90.21 127.23 42.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 125.864 1.666 . . . . 0.0 108.904 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -128.84 122.12 29.75 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.279 1.032 . . . . 0.0 110.22 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -79.84 153.19 29.26 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.6 0.55 11.01 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.835 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.241 0.633 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 m -148.86 175.01 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 127.521 2.328 . . . . 0.0 107.227 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -127.33 103.8 7.58 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 109.348 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.01 121.21 39.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 124.888 1.275 . . . . 0.0 108.311 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -96.96 127.05 42.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.86 111.61 23.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -87.5 113.06 22.86 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 104.392 -2.447 . . . . 0.0 104.392 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.07 103.73 13.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.805 0.73 . . . . 0.0 110.13 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.35 123.01 44.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -89.69 151.82 21.67 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 124.27 1.028 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.39 64.73 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.446 1.098 . . . . 0.0 110.654 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -73.99 9.97 1.36 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.996 1.719 . . . . 0.0 112.098 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.33 18.08 79.15 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.22 -1.55 . . . . 0.0 109.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -111.96 174.92 5.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.909 1.683 . . . . 0.0 109.184 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -148.48 157.71 43.65 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.413 -0.804 . . . . 0.0 111.885 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -151.85 146.19 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.839 2.056 . . . . 0.0 106.081 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -134.33 138.5 44.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.513 1.051 . . . . 0.0 108.262 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.47 154.25 40.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.612 1.565 . . . . 0.0 106.985 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.75 108.46 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -95.85 152.03 18.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.531 1.132 . . . . 0.0 109.334 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -131.51 147.0 52.5 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.666 0.786 . . . . 0.0 108.897 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -160.66 26.67 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 107.431 -2.267 . . . . 0.0 107.431 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -65.37 159.56 23.83 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -51.69 -51.61 54.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.944 0.898 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -68.89 -40.17 79.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.615 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.05 -50.23 74.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.05 86.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.536 0.734 . . . . 0.0 111.477 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -60.56 -42.81 97.35 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -63.24 -35.57 80.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.128 0.571 . . . . 0.0 110.211 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.8 -42.14 82.06 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.374 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.05 -40.83 86.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.629 0.65 . . . . 0.0 110.869 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.15 -31.28 64.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.316 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.94 72.09 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -60.1 -46.51 89.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.06 1.344 . . . . 0.0 108.585 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.03 92.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.238 -0.914 . . . . 0.0 109.935 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.47 -34.84 79.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.712 -1.243 . . . . 0.0 110.965 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -16.27 43.81 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.918 1.287 . . . . 0.0 111.348 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -111.6 -8.28 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.867 1.667 . . . . 0.0 112.814 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -77.57 66.59 3.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.058 2.943 . . . . 0.0 106.567 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -155.97 -81.36 0.07 Allowed 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 102.941 -2.985 . . . . 0.0 102.941 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.17 -10.41 59.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -113.32 -17.28 12.33 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.273 -0.87 . . . . 0.0 113.047 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 -163.25 33.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.442 1.019 . . . . 0.0 111.273 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.14 168.66 11.69 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.724 0.773 . . . . 0.0 111.099 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -145.41 161.36 39.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.411 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -128.05 148.58 50.56 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 127.182 2.193 . . . . 0.0 105.909 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.1 150.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.082 0.953 . . . . 0.0 109.964 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -127.17 122.24 33.56 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.966 1.706 . . . . 0.0 107.506 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.09 103.14 9.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.99 169.14 10.77 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.095 0.958 . . . . 0.0 112.533 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 t0 48.62 56.29 7.8 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.389 1.876 . . . . 0.0 111.238 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 58.36 17.72 4.98 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.777 1.231 . . . . 0.0 111.397 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.82 4.82 60.17 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.766 1.65 . . . . 0.0 112.016 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -82.13 -22.01 36.38 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.364 1.582 . . . . 0.0 110.389 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.4 m -121.53 122.04 38.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.6 mt -109.48 110.45 21.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.4 107.27 19.09 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.65 138.69 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.803 0.841 . . . . 0.0 109.08 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.07 136.44 48.44 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.847 1.659 . . . . 0.0 109.541 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -98.18 154.04 18.04 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.418 1.008 . . . . 0.0 108.768 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 -19.09 15.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.668 0.787 . . . . 0.0 112.514 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--O 1.238 0.498 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 m -119.36 174.86 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.265 1.426 . . . . 0.0 108.871 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.2 m -136.9 107.55 6.56 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 126.26 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -91.91 128.93 37.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.46 21.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -93.02 123.65 36.42 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.36 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 125.613 1.565 . . . . 0.0 107.448 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.6 105.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -75.09 151.97 38.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -80.85 -6.41 58.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.274 1.029 . . . . 0.0 112.989 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.74 -23.81 16.49 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.721 -1.044 . . . . 0.0 112.298 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 m -61.02 154.0 23.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.623 1.211 . . . . 0.0 109.236 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -141.58 130.99 23.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -138.91 145.47 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -134.35 139.78 45.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.019 0.827 . . . . 0.0 110.796 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.95 161.15 27.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.906 2.082 . . . . 0.0 107.699 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -134.28 109.3 8.74 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -97.1 151.6 19.61 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -131.17 167.49 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 111.509 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.4 -159.73 14.2 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 161.3 20.02 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.04 -53.23 28.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.251 1.42 . . . . 0.0 110.727 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -64.99 -30.36 71.35 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.53 -61.7 1.71 Allowed 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.362 0.665 . . . . 0.0 109.572 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -30.88 64.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.327 0.392 . . . . 0.0 111.398 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -68.56 -48.83 63.23 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -60.77 -35.77 77.26 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.289 0.636 . . . . 0.0 111.054 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.86 -41.94 99.56 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.919 0.781 . . . . 0.0 110.511 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.8 98.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 117.796 0.271 . . . . 0.0 111.008 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -72.48 -31.05 65.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.996 0.362 . . . . 0.0 110.244 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.31 81.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.312 1.045 . . . . 0.0 109.731 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -67.57 -41.19 84.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.652 1.181 . . . . 0.0 110.109 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.38 83.91 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.725 0.81 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.77 -36.66 84.62 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.226 -0.921 . . . . 0.0 112.764 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -74.25 0.93 12.62 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.62 -6.71 9.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.0 1.32 . . . . 0.0 111.328 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.39 -23.82 51.63 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.202 1.801 . . . . 0.0 113.253 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.73 -64.83 0.81 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.946 0.794 . . . . 0.0 110.556 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.07 -16.64 56.48 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 126.119 1.768 . . . . 0.0 114.818 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -110.24 -12.29 14.47 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.79 -178.0 52.3 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.62 165.77 6.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.548 0.69 . . . . 0.0 110.742 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -148.66 167.39 25.61 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -138.13 145.67 41.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.492 1.517 . . . . 0.0 108.571 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.5 t -117.48 151.45 19.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.14 140.59 52.44 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.689 1.596 . . . . 0.0 107.659 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.94 102.9 13.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 125.643 1.577 . . . . 0.0 109.845 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.19 164.23 14.79 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.035 0.934 . . . . 0.0 108.885 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.84 52.05 14.83 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.092 1.357 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 59.7 4.29 0.54 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 114.06 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.23 -16.58 8.64 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.265 2.364 . . . . 0.0 111.292 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -67.5 -9.47 42.5 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.189 1.495 . . . . 0.0 112.888 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.0 m -132.29 124.72 29.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.42 111.0 20.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -90.25 100.03 12.94 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mt -92.52 129.53 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -130.2 134.38 47.23 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.642 1.177 . . . . 0.0 108.816 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.34 156.11 16.59 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.23 -9.05 16.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.063 1.345 . . . . 0.0 112.956 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.427 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.236 0.369 0 N-CA-C 110.679 -0.119 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -127.73 174.68 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.507 1.523 . . . . 0.0 111.541 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -127.34 133.88 50.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.35 120.03 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.552 1.941 . . . . 0.0 108.256 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -91.57 123.23 34.82 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.255 2.222 . . . . 0.0 110.392 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.05 115.05 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 119.667 1.121 . . . . 0.0 110.086 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -87.47 110.72 20.51 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.24 115.17 27.82 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -113.37 99.65 9.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.97 150.32 35.9 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 123.304 0.641 . . . . 0.0 110.286 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.07 -12.1 61.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.333 1.053 . . . . 0.0 112.303 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -75.92 -22.28 56.19 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.353 -0.842 . . . . 0.0 111.039 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.76 -22.69 9.84 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.657 1.599 . . . . 0.0 109.765 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -67.9 154.89 40.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.45 1.9 . . . . 0.0 109.641 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -136.93 159.73 41.01 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.608 -0.683 . . . . 0.0 110.083 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -152.59 146.45 25.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.843 1.657 . . . . 0.0 107.467 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -126.75 138.72 53.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.81 155.0 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.893 1.677 . . . . 0.0 107.578 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.69 109.16 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.26 153.16 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -131.27 161.89 31.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.684 0.794 . . . . 0.0 110.883 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.05 -160.05 22.81 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -65.3 164.99 12.41 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -53.91 -45.94 71.31 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.68 -52.82 55.19 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.687 -0.673 . . . . 0.0 111.17 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.77 -58.59 6.39 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.747 0.819 . . . . 0.0 111.814 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -34.8 70.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.68 0.392 . . . . 0.0 111.586 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.6 m -68.81 -50.12 52.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -61.05 -35.62 77.4 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.56 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -68.04 -43.16 79.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 109.734 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.67 96.13 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.111 -0.368 . . . . 0.0 110.68 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -73.65 -31.53 63.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.337 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.17 90.03 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.33 1.052 . . . . 0.0 109.192 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -65.1 -45.28 85.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.927 -0.483 . . . . 0.0 110.074 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.27 69.34 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.133 -0.98 . . . . 0.0 111.878 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.72 -36.32 83.91 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.454 -0.779 . . . . 0.0 112.443 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -70.85 -37.04 73.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.656 1.116 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.38 -26.23 66.35 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.7 0.8 . . . . 0.0 112.641 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.02 -27.06 29.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.011 1.324 . . . . 0.0 113.836 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -64.17 -62.39 1.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.107 0.867 . . . . 0.0 113.145 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.36 -23.62 37.59 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -92.09 -25.8 18.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 116.689 -1.624 . . . . 0.0 114.582 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.2 -176.86 25.93 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.99 1.757 . . . . 0.0 111.524 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.18 158.52 19.75 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 122.214 1.007 . . . . 0.0 111.049 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -132.01 174.99 9.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.057 0.932 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.8 p -137.46 161.96 34.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.23 2.612 . . . . 0.0 105.726 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.09 155.17 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 111.76 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -141.89 142.47 33.08 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 127.602 2.361 . . . . 0.0 106.3 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.17 134.52 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.026 1.33 . . . . 0.0 109.461 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.87 -176.6 4.73 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.699 2.0 . . . . 0.0 109.336 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 52.14 41.66 30.2 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.809 2.044 . . . . 0.0 112.001 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 63.86 17.67 10.67 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.047 1.739 . . . . 0.0 112.627 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.67 29.17 6.0 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.4 -8.75 9.57 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.252 1.026 . . . . 0.0 111.054 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -128.27 120.67 27.59 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -117.9 132.18 56.45 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.506 1.922 . . . . 0.0 107.859 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -113.71 117.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.21 107.2 20.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -110.96 136.28 50.2 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.486 0.714 . . . . 0.0 109.238 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -93.72 151.69 19.47 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.986 1.714 . . . . 0.0 108.568 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.79 3.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.376 0 C-N-CA 127.487 2.47 . . . . 0.0 110.335 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 121.445 0.641 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.49 174.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 128.246 2.618 . . . . 0.0 107.845 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -129.5 124.55 34.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mt -115.73 126.25 73.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -98.35 138.87 34.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.51 116.31 25.82 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.37 1.068 . . . . 0.0 108.779 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -89.07 111.45 22.19 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 103.108 -2.923 . . . . 0.0 103.108 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.07 127.5 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.33 104.98 14.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -85.23 146.76 26.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -19.43 64.59 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -63.0 -21.74 66.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 111.184 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.67 -39.89 2.49 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.818 1.199 . . . . 0.0 112.537 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -71.24 163.55 27.42 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.037 1.418 . . . . 0.0 110.905 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -126.07 161.8 26.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.648 2.379 . . . . 0.0 106.69 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -152.71 146.24 24.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.737 0.815 . . . . 0.0 108.865 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -118.36 138.23 52.56 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.58 143.37 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -133.22 114.39 13.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -112.15 154.85 24.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.734 1.214 . . . . 0.0 110.332 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -131.25 167.15 19.69 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.924 0.89 . . . . 0.0 110.837 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.98 -166.19 19.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 125.575 1.56 . . . . 0.0 109.528 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.2 p -65.2 170.43 4.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.086 1.443 . . . . 0.0 108.459 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.7 -54.99 25.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.833 0.453 . . . . 0.0 111.089 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.7 -31.51 72.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 111.685 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -56.94 12.85 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.218 0.607 . . . . 0.0 109.784 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.98 79.13 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.98 0.512 . . . . 0.0 110.281 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -62.38 -52.55 63.17 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -58.9 -36.54 74.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.05 -44.91 62.6 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 119.479 1.036 . . . . 0.0 110.598 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.36 97.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.248 0.476 . . . . 0.0 110.493 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -73.69 -31.62 63.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.187 -0.435 . . . . 0.0 110.677 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.97 75.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.185 0.902 . . . . 0.0 108.672 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -66.1 -30.02 70.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.185 0.594 . . . . 0.0 110.422 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.26 -36.03 61.31 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.488 -1.383 . . . . 0.0 109.134 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.23 -36.26 81.45 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.44 1.096 . . . . 0.0 112.241 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -71.77 -6.67 43.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.334 -0.854 . . . . 0.0 112.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -114.05 -4.99 13.12 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.021 1.328 . . . . 0.0 111.557 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -59.58 -30.89 68.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.471 1.908 . . . . 0.0 113.483 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.32 -58.24 5.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 120.101 1.319 . . . . 0.0 112.154 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.54 -17.33 60.11 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -114.19 -15.09 12.25 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.48 -172.41 33.01 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -65.48 164.2 14.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -142.59 143.71 32.55 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.82 -0.55 . . . . 0.0 109.846 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 p -93.59 168.54 10.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.279 14.6 p -147.25 126.95 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 O-C-N 121.56 -0.712 . . . . 0.0 109.112 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -121.65 133.67 54.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.73 1.212 . . . . 0.0 108.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.75 134.59 26.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.324 1.05 . . . . 0.0 112.275 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.32 173.22 11.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.596 1.558 . . . . 0.0 108.744 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 43.71 52.11 6.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.883 2.073 . . . . 0.0 112.53 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.88 18.41 3.84 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.843 1.257 . . . . 0.0 114.125 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.42 -2.69 32.71 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.218 1.39 . . . . 0.0 112.266 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.05 -3.04 57.53 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.168 1.484 . . . . 0.0 111.656 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.8 m -134.2 142.06 47.26 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.7 131.16 51.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.48 1.512 . . . . 0.0 110.272 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -101.31 112.45 24.97 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 103.915 -2.624 . . . . 0.0 103.915 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.23 102.37 13.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -102.67 123.8 47.03 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.995 1.318 . . . . 0.0 107.481 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -82.98 137.36 34.19 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.33 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.292 1.037 . . . . 0.0 112.724 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.91 -2.076 . . . . 0.0 107.91 -179.038 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.69 174.92 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 127.516 2.326 . . . . 0.0 108.783 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -128.18 108.57 10.74 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -93.56 125.53 46.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -94.24 133.17 38.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.68 118.85 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.973 0.351 . . . . 0.0 111.719 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -86.0 122.84 30.61 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 126.082 1.753 . . . . 0.0 107.191 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.21 134.84 51.24 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.4 124.55 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.99 159.1 16.81 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.826 0.851 . . . . 0.0 111.038 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.49 15.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.789 1.636 . . . . 0.0 112.789 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -95.67 4.51 52.97 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.347 1.859 . . . . 0.0 107.863 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.71 -13.05 38.07 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 120.03 -1.669 . . . . 0.0 112.782 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 m -70.79 156.51 39.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.972 0.886 . . . . 0.0 109.704 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -138.46 150.56 46.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.798 1.239 . . . . 0.0 108.403 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -152.31 146.41 25.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.419 1.088 . . . . 0.0 108.717 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 133.09 55.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.083 1.31 . . . . 0.0 108.988 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.14 166.62 11.63 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.003 1.721 . . . . 0.0 110.19 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -143.39 126.18 16.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.433 1.893 . . . . 0.0 107.434 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -123.54 129.13 50.74 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -110.28 142.82 41.36 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.18 -164.77 30.61 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 107.729 -2.149 . . . . 0.0 107.729 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.9 p -70.84 165.11 23.9 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.24 -48.29 79.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.574 -0.704 . . . . 0.0 110.637 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.67 -26.21 66.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.489 0.716 . . . . 0.0 112.402 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.42 -56.15 4.39 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.091 0.86 . . . . 0.0 109.147 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.18 -36.47 68.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.257 1.023 . . . . 0.0 111.509 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -64.37 -47.0 80.91 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -64.27 -35.69 81.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.499 0.72 . . . . 0.0 110.676 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.1 -35.27 80.2 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.812 -0.555 . . . . 0.0 111.293 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.94 96.74 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -72.82 -30.43 64.04 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.014 0.526 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.69 -51.9 55.74 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 108.75 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.72 -45.1 90.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.131 1.373 . . . . 0.0 109.322 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.84 78.73 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.234 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.32 -36.88 79.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.437 1.017 . . . . 0.0 109.863 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -10.23 24.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.261 1.024 . . . . 0.0 111.782 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.3 mt -118.3 -8.98 10.5 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.584 1.954 . . . . 0.0 111.121 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -60.49 -25.92 66.42 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.198 1.399 . . . . 0.0 114.439 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -61.23 1.84 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.242 0.928 . . . . 0.0 109.585 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.01 -21.53 56.78 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -107.63 -10.24 15.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.902 0.774 . . . . 0.0 112.678 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.24 -177.34 42.63 Favored Glycine 0 C--N 1.332 0.353 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.58 164.79 7.09 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.6 p-90 -149.81 166.54 29.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.318 0.58 . . . . 0.0 111.832 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -140.13 159.94 41.07 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.978 2.111 . . . . 0.0 105.339 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.82 150.49 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.248 0.547 . . . . 0.0 111.059 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 14.2 t70 -127.38 132.33 50.18 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.023 2.529 . . . . 0.0 104.302 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.4 133.7 34.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 123.802 0.841 . . . . 0.0 109.318 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.43 164.95 26.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.895 1.278 . . . . 0.0 109.56 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 45.43 48.92 10.69 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.986 1.714 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 63.03 -0.9 0.55 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.941 2.097 . . . . 0.0 114.625 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.2 -9.99 6.97 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 127.678 2.561 . . . . 0.0 111.314 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -68.24 -12.85 61.68 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.939 1.869 . . . . 0.0 110.646 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.4 m -131.43 130.09 42.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.54 131.98 54.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 124.355 1.062 . . . . 0.0 108.67 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 82.3 m-20 -108.61 106.67 16.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mt -110.51 108.89 26.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.0 135.78 47.98 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -104.24 123.94 48.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.867 1.267 . . . . 0.0 108.863 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.82 -22.7 63.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 125.0 1.32 . . . . 0.0 112.606 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 C--O 1.239 0.55 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.86 169.87 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.792 1.237 . . . . 0.0 108.148 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -132.81 103.7 6.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mt -90.83 121.67 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -90.49 93.7 9.41 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.51 109.87 20.41 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -91.82 131.18 37.36 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.95 129.57 54.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.34 106.72 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -71.73 159.15 34.85 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.02 -10.59 57.76 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -87.1 36.8 0.74 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.284 1.434 . . . . 0.0 112.151 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.74 22.76 Favored Glycine 0 C--N 1.342 0.869 0 C-N-CA 125.497 1.522 . . . . 0.0 113.91 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p -155.62 160.46 40.46 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -133.2 167.45 20.34 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.532 0.682 . . . . 0.0 110.53 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.84 146.18 25.49 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.695 1.998 . . . . 0.0 106.034 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -134.04 129.08 35.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.693 -2.336 . . . . 0.0 104.693 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.9 129.44 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 126.493 1.917 . . . . 0.0 110.599 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -104.01 109.59 21.43 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -89.05 138.72 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -124.14 157.32 34.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.049 0.94 . . . . 0.0 110.367 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.15 -160.27 18.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 155.0 38.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.03 -47.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.419 0.688 . . . . 0.0 112.025 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.6 -43.26 97.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.564 0.746 . . . . 0.0 110.7 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.92 -65.66 0.65 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.634 1.174 . . . . 0.0 109.337 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.83 39.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.702 1.201 . . . . 0.0 112.683 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.0 m -66.35 -50.58 63.08 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -61.45 -35.86 78.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.317 0.647 . . . . 0.0 110.952 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.4 -41.57 76.24 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.867 0.867 . . . . 0.0 110.003 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.12 81.71 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -73.08 -29.01 62.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.627 0.771 . . . . 0.0 110.509 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.12 27.32 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.142 -0.974 . . . . 0.0 108.679 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.53 -41.22 89.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.111 0.564 . . . . 0.0 110.785 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.19 76.55 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.029 -0.419 . . . . 0.0 109.921 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -69.39 -36.05 76.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.056 0.543 . . . . 0.0 110.67 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -23.94 66.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.491 -0.755 . . . . 0.0 111.727 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.9 mt -101.97 -11.47 18.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.413 1.085 . . . . 0.0 111.923 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -58.03 -20.05 35.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 127.346 2.258 . . . . 0.0 114.452 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -59.43 -57.85 11.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.795 0.725 . . . . 0.0 109.544 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -90.87 -31.4 16.44 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.684 1.594 . . . . 0.0 113.406 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.46 -5.87 57.99 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.28 -175.57 42.62 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 123.86 0.743 . . . . 0.0 113.012 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -64.87 166.76 8.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.226 1.013 . . . . 0.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -147.51 168.23 22.45 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.456 1.102 . . . . 0.0 110.707 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 p -136.94 163.7 30.08 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.53 130.91 24.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 119.161 0.892 . . . . 0.0 112.568 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -100.14 111.18 23.47 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.883 -2.265 . . . . 0.0 104.883 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -82.25 125.81 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.87 173.58 11.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.999 0.92 . . . . 0.0 111.488 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 44.53 64.6 1.29 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.332 2.253 . . . . 0.0 112.343 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 59.28 15.81 4.54 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.505 1.522 . . . . 0.0 112.079 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.04 1.25 82.32 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.602 2.048 . . . . 0.0 110.886 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -75.5 -10.12 59.17 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.238 1.519 . . . . 0.0 111.013 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.4 m -132.68 126.36 32.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.05 131.16 57.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -110.08 91.31 3.6 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.84 115.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 125.291 1.437 . . . . 0.0 107.538 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.68 120.94 38.93 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -83.29 141.52 31.77 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.929 -1.487 . . . . 0.0 107.63 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 -13.84 20.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.709 1.204 . . . . 0.0 111.672 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.029 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 N--CA 1.441 -0.879 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 174.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.799 1.639 . . . . 0.0 109.275 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -131.95 134.02 45.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mt -121.22 124.71 72.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 97.48 10.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.47 1.508 . . . . 0.0 110.188 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.94 126.36 34.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.717 0.77 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -101.38 131.42 47.47 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.24 114.91 20.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.61 133.96 57.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.426 -2.065 . . . . 0.0 105.426 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -117.3 149.48 40.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.753 0.421 . . . . 0.0 110.814 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.42 -25.55 64.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.369 1.068 . . . . 0.0 110.332 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -53.18 -32.92 50.36 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.945 1.298 . . . . 0.0 111.431 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.71 -27.09 6.65 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.06 169.62 17.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.747 1.261 . . . . 0.0 110.439 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 p -137.43 159.98 40.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.025 2.13 . . . . 0.0 108.326 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -146.26 145.09 30.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.65 1.18 . . . . 0.0 108.296 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -118.2 139.35 51.42 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.301 1.04 . . . . 0.0 111.182 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.15 152.69 48.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.245 1.418 . . . . 0.0 108.61 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -143.99 109.8 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 127.033 2.133 . . . . 0.0 105.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.71 146.43 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -130.2 149.57 51.84 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 110.833 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.23 -161.21 23.56 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -62.15 151.0 37.08 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.84 -45.68 78.33 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.38 -44.23 84.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.006 0.922 . . . . 0.0 111.011 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -66.52 -59.32 3.75 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.506 1.123 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.41 -37.72 57.33 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.991 0.916 . . . . 0.0 111.989 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -60.7 -53.03 62.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.765 -0.584 . . . . 0.0 109.909 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -62.11 -35.69 79.47 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.522 1.055 . . . . 0.0 112.407 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.51 -41.74 94.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.607 0.64 . . . . 0.0 111.126 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.5 84.52 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 119.027 -0.511 . . . . 0.0 110.864 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -72.92 -31.2 64.47 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.253 0.933 . . . . 0.0 109.421 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.62 74.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 39' ' ' THR . 4.9 t80 -69.8 -45.63 67.49 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.83 -36.63 82.8 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.181 -0.949 . . . . 0.0 112.208 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 36' ' ' TYR . 15.4 t -68.89 -21.07 64.26 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.103 0.865 . . . . 0.0 111.499 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.96 -0.31 27.06 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.294 -0.879 . . . . 0.0 113.092 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -64.66 -38.43 90.97 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.725 1.148 . . . . 0.0 112.701 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -79.43 -28.95 41.69 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.393 1.452 . . . . 0.0 109.264 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.26 -26.26 52.3 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 125.007 1.323 . . . . 0.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -130.74 -4.79 4.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.36 178.91 34.12 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 119.437 1.017 . . . . 0.0 113.219 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 157.64 17.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 122.189 0.995 . . . . 0.0 109.966 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -134.39 168.55 18.71 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 123.211 1.481 . . . . 0.0 111.544 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.46 152.59 43.14 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 130.214 3.406 . . . . 0.0 105.188 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.27 138.44 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -120.66 141.14 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.076 1.351 . . . . 0.0 108.022 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.69 102.65 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 126.816 2.046 . . . . 0.0 106.428 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.07 172.73 6.98 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.6 1.56 . . . . 0.0 110.635 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t0 43.28 57.62 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 129.062 2.945 . . . . 0.0 113.593 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 61.24 3.05 0.67 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.589 1.156 . . . . 0.0 112.964 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.84 -10.02 10.39 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 128.617 3.008 . . . . 0.0 110.944 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.25 -7.28 59.54 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.866 1.833 . . . . 0.0 114.858 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.9 m -123.96 131.04 53.51 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.69 131.34 56.15 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -115.74 91.85 3.73 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.03 105.16 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.536 1.534 . . . . 0.0 108.017 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -111.52 123.84 51.04 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.723 1.209 . . . . 0.0 109.163 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -92.02 163.0 14.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.184 1.394 . . . . 0.0 110.693 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.52 -19.44 12.12 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.125 0 N-CA-C 107.612 -2.195 . . . . 0.0 107.612 -178.338 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.36 166.15 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 121.302 -0.874 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -128.5 96.8 4.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.943 -2.244 . . . . 0.0 104.943 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 mt -89.95 118.54 35.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -91.02 126.3 36.06 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.91 111.22 23.23 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -91.22 119.52 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.65 123.73 50.96 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 122.223 1.011 . . . . 0.0 109.752 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.99 113.3 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 127.67 2.388 . . . . 0.0 108.005 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.42 157.13 19.9 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.383 0.611 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -14.42 61.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.51 0.724 . . . . 0.0 111.433 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -91.42 7.18 42.38 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.108 1.763 . . . . 0.0 111.369 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.02 -20.6 28.18 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.354 0.978 . . . . 0.0 113.669 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -64.34 161.83 16.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.62 1.71 . . . . 0.0 110.211 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -144.23 129.35 18.64 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 121.185 -0.947 . . . . 0.0 109.753 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -127.35 145.05 50.94 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -123.21 138.17 54.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.52 49.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -129.9 118.97 22.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -113.89 140.36 48.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.939 1.696 . . . . 0.0 107.893 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -124.43 152.0 43.82 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.977 1.711 . . . . 0.0 108.455 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.08 -155.0 21.43 Favored Glycine 0 C--O 1.237 0.309 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.14 161.67 13.08 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -57.92 -54.67 44.29 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.857 -0.527 . . . . 0.0 109.893 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.21 -31.03 69.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.78 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.17 -55.63 30.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.292 0.951 . . . . 0.0 108.507 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.89 87.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.572 0.749 . . . . 0.0 110.069 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.6 m -59.95 -54.18 49.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.307 0.643 . . . . 0.0 109.475 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -33.1 72.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 111.594 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.58 -39.81 92.04 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.769 0.713 . . . . 0.0 110.219 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.36 93.76 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.75 -0.594 . . . . 0.0 110.097 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.05 -29.06 62.69 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -55.31 17.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.65 -46.77 77.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.744 1.218 . . . . 0.0 110.193 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.48 78.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.558 -0.714 . . . . 0.0 111.628 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.78 -34.02 73.19 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.866 -1.146 . . . . 0.0 109.868 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -5.57 12.55 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.049 1.34 . . . . 0.0 112.175 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -122.13 -14.02 8.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.481 1.512 . . . . 0.0 111.396 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.15 -25.26 58.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.517 1.527 . . . . 0.0 113.6 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.46 -61.34 2.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 120.721 1.6 . . . . 0.0 111.035 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.92 -25.43 37.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -89.21 -18.13 27.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.435 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.81 -179.22 44.23 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.887 1.232 . . . . 0.0 111.755 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.16 164.73 4.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 122.669 1.223 . . . . 0.0 111.748 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -144.66 170.48 16.0 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.119 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -132.85 172.66 12.3 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.86 155.78 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.99 141.19 48.16 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.0 t -103.2 134.27 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 125.924 1.69 . . . . 0.0 109.585 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 57' ' ' THR . . . -140.0 170.7 15.38 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.624 1.569 . . . . 0.0 107.975 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.86 43.74 25.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.869 1.668 . . . . 0.0 110.215 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 60.04 2.44 0.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.15 1.78 . . . . 0.0 113.331 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.43 -13.13 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.779 2.133 . . . . 0.0 111.818 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -76.02 -3.42 35.68 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.641 1.72 . . . . 0.0 113.175 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.408 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 87.5 m -133.29 133.84 43.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.49 131.43 52.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.77 120.68 40.09 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 mt -118.77 130.82 73.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.547 1.139 . . . . 0.0 108.056 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -123.63 120.39 32.64 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.19 0.596 . . . . 0.0 109.752 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -81.8 117.7 22.3 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 -10.15 59.75 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-N 119.641 1.11 . . . . 0.0 112.381 -179.567 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 C--O 1.237 0.4 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.16 174.38 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 108.28 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -139.23 111.2 7.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.419 1.888 . . . . 0.0 106.991 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.73 132.09 54.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -99.99 140.88 33.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.27 117.99 28.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -85.51 125.75 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 102.735 -3.061 . . . . 0.0 102.735 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 104.35 12.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -100.31 126.79 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -111.37 142.24 43.86 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.44 65.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.061 1.344 . . . . 0.0 111.63 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.71 -5.26 23.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.887 0.875 . . . . 0.0 110.816 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.76 8.86 69.28 Favored Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.755 -1.215 . . . . 0.0 111.784 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -97.92 161.56 13.68 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.32 1.048 . . . . 0.0 108.538 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.3 p -143.63 158.03 43.97 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.607 -0.683 . . . . 0.0 110.339 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -152.09 148.02 27.17 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.125 1.77 . . . . 0.0 106.755 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -134.38 138.86 45.18 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 119.68 -1.888 . . . . 0.0 107.418 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.67 159.01 43.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.015 0.926 . . . . 0.0 110.16 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -126.79 147.84 49.98 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -135.98 138.91 42.75 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -121.64 156.98 31.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.51 0.724 . . . . 0.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.55 -148.09 19.47 Favored Glycine 0 C--N 1.329 0.188 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -75.03 166.54 23.5 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.11 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.59 -47.1 87.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.004 1.322 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.22 -54.37 41.79 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.68 -30.49 63.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.112 0.565 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -71.23 -55.6 7.77 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.488 -1.382 . . . . 0.0 109.329 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -36.0 81.54 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -29.6 68.93 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.088 1.313 . . . . 0.0 109.408 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.8 81.81 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -73.25 -31.96 64.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.88 81.69 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.81 -45.79 89.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.16 0.984 . . . . 0.0 109.128 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.81 69.96 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.96 -1.088 . . . . 0.0 111.663 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -62.9 -36.68 84.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 125.069 1.348 . . . . 0.0 113.394 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -33.41 75.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.139 0.881 . . . . 0.0 110.63 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -85.29 -6.95 59.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.695 1.198 . . . . 0.0 112.804 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -65.28 -7.08 11.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.846 1.658 . . . . 0.0 114.011 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -60.99 2.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 120.446 1.476 . . . . 0.0 109.392 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.22 -16.41 59.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.627 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -111.73 -11.8 13.93 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.995 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.91 -167.37 54.68 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -57.63 162.18 3.19 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.696 1.236 . . . . 0.0 112.141 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -150.88 167.66 26.84 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.647 1.579 . . . . 0.0 107.862 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.5 p -141.52 154.3 45.41 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.33 122.48 51.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 118.105 0.412 . . . . 0.0 110.356 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.4 141.7 30.17 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -96.53 121.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.971 0.908 . . . . 0.0 109.689 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 172.87 9.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.003 1.321 . . . . 0.0 109.332 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 t0 44.24 59.38 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 127.114 2.166 . . . . 0.0 111.964 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 54.48 12.03 0.49 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.78 13.7 13.69 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 118.279 -1.29 . . . . 0.0 112.031 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -111.47 -6.44 14.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.847 1.824 . . . . 0.0 112.205 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.6 m -129.61 107.22 9.28 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.383 1.073 . . . . 0.0 108.475 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.26 124.45 41.37 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -96.42 91.81 6.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.51 114.42 28.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 119.116 0.871 . . . . 0.0 108.654 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -127.57 132.77 49.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -94.13 154.17 17.73 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.742 1.617 . . . . 0.0 110.333 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.33 -8.05 13.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 O-C-N 121.192 -0.942 . . . . 0.0 113.775 179.169 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.431 0.634 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.73 173.64 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 128.863 2.865 . . . . 0.0 107.214 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -134.5 136.76 43.36 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.06 121.84 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -91.53 132.86 35.99 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.36 131.23 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.63 0.772 . . . . 0.0 109.846 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -104.15 118.93 37.83 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.28 111.32 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.912 1.285 . . . . 0.0 109.168 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.13 129.66 59.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 124.962 1.305 . . . . 0.0 107.56 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -105.02 158.45 16.54 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 123.872 0.869 . . . . 0.0 108.834 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -14.86 63.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.955 0.502 . . . . 0.0 110.188 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -74.22 0.93 12.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.054 1.741 . . . . 0.0 110.62 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.54 -41.93 2.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -59.55 160.17 7.41 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.673 1.189 . . . . 0.0 112.746 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.2 p -136.0 172.21 13.35 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 110.835 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -152.72 146.96 25.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.147 2.179 . . . . 0.0 107.131 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -125.26 138.85 54.1 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.67 163.1 27.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.199 1.399 . . . . 0.0 109.113 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -137.6 109.89 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.485 1.914 . . . . 0.0 106.427 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.78 143.76 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.149 1.38 . . . . 0.0 108.293 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -131.65 148.23 52.58 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.44 1.496 . . . . 0.0 110.731 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.18 -145.7 17.04 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.9 p -89.97 -176.56 4.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 117.756 0.778 . . . . 0.0 109.286 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -56.45 -63.55 1.16 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.364 1.066 . . . . 0.0 111.987 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.65 -34.87 74.93 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -58.28 -67.11 0.38 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.517 1.527 . . . . 0.0 111.592 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.22 95.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 124.515 1.135 . . . . 0.0 112.018 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 m -63.18 -45.48 91.61 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.164 -0.335 . . . . 0.0 110.201 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -67.5 -35.15 78.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.57 -40.15 92.47 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.15 82.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.345 0.52 . . . . 0.0 110.17 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.47 -31.16 63.62 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.471 0.578 . . . . 0.0 110.127 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.68 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 120.945 -1.097 . . . . 0.0 108.937 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -58.27 -46.06 86.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.754 2.022 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.12 -36.31 66.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.903 0.319 . . . . 0.0 110.164 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.78 -30.39 71.42 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.858 -1.151 . . . . 0.0 111.793 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -16.0 63.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.717 1.207 . . . . 0.0 112.162 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.46 -1.62 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 0.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -80.87 56.67 2.8 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 127.374 2.269 . . . . 0.0 110.314 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -152.28 -57.93 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.45 -20.78 53.94 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.725 -0.61 . . . . 0.0 111.941 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -105.9 -39.04 6.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.45 -179.35 16.45 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.38 159.72 23.5 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.434 0.635 . . . . 0.0 109.427 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -139.44 162.44 35.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.663 0.785 . . . . 0.0 110.039 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -127.19 163.45 23.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.18 157.23 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.274 0.559 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 15.0 t70 -138.67 121.23 16.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.18 130.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.11 174.13 10.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.24 1.016 . . . . 0.0 110.608 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.92 64.25 1.53 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 127.534 2.334 . . . . 0.0 111.449 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 58.5 4.25 0.34 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.433 1.493 . . . . 0.0 113.815 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.29 0.19 29.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 125.811 1.672 . . . . 0.0 112.23 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -87.74 -9.3 54.43 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.598 1.699 . . . . 0.0 112.559 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.6 m -123.41 114.79 20.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -105.88 129.07 54.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 85.7 m-20 -110.9 110.83 21.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.47 127.18 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 120.526 1.512 . . . . 0.0 108.056 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -131.11 136.41 48.35 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.99 143.41 27.88 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.203 1.001 . . . . 0.0 109.143 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.38 -65.04 1.06 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.876 0.87 . . . . 0.0 109.189 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -131.38 175.88 10.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 C-N-CA 126.76 2.024 . . . . 0.0 111.131 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.47 136.61 52.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.574 1.549 . . . . 0.0 108.572 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mt -125.41 125.27 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.916 1.286 . . . . 0.0 108.192 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -96.42 93.93 7.12 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.649 1.18 . . . . 0.0 109.631 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.71 109.75 19.93 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.3 132.06 34.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 127.047 2.139 . . . . 0.0 105.961 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -116.67 114.67 24.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.153 0.981 . . . . 0.0 110.216 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.94 100.46 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.16 159.13 26.12 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.88 -0.513 . . . . 0.0 111.515 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.28 -26.75 63.95 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.53 9.16 1.47 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.825 0.85 . . . . 0.0 111.726 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.18 18.6 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.208 1.861 . . . . 0.0 113.712 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -57.43 153.0 13.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.667 1.587 . . . . 0.0 111.24 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -127.83 139.37 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.727 1.611 . . . . 0.0 109.78 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -152.55 146.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.103 -0.998 . . . . 0.0 109.66 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 m -132.09 138.75 48.25 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.093 -1.076 . . . . 0.0 108.093 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.88 107.95 4.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.582 1.953 . . . . 0.0 108.158 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.75 109.89 21.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -88.13 143.7 26.91 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 124.695 1.198 . . . . 0.0 109.24 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -125.29 147.45 49.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.371 1.068 . . . . 0.0 110.597 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.38 -162.69 22.05 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.297 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 151.65 17.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -55.7 -46.81 77.58 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.091 -0.381 . . . . 0.0 111.796 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -63.5 -46.42 86.18 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.86 -57.11 12.92 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.19 99.3 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.385 0.274 . . . . 0.0 111.607 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.7 m -63.07 -40.65 98.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -65.95 -36.93 84.7 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.199 1.0 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -73.28 -31.38 64.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.67 -0.644 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.51 96.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -73.1 -32.6 65.07 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.845 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.63 68.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.161 0.437 . . . . 0.0 109.842 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -71.3 -40.64 70.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.628 -0.67 . . . . 0.0 109.31 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.44 72.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.582 -0.699 . . . . 0.0 109.145 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.74 -37.14 85.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.865 1.266 . . . . 0.0 112.758 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.97 -14.69 63.19 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.646 1.112 . . . . 0.0 111.106 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.72 -10.81 14.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.483 1.113 . . . . 0.0 112.097 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.54 -44.23 76.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.757 1.223 . . . . 0.0 111.719 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -59.11 -23.14 61.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -117.92 -2.83 11.24 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.808 1.186 . . . . 0.0 114.021 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -127.34 -10.52 5.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.84 0.856 . . . . 0.0 113.037 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.11 38.6 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 125.425 1.488 . . . . 0.0 112.868 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.36 166.69 16.11 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -142.73 160.6 40.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.746 0.818 . . . . 0.0 111.185 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.29 147.97 49.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -121.56 146.47 26.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 123.315 0.646 . . . . 0.0 111.752 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -115.51 124.84 52.09 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.836 -1.912 . . . . 0.0 105.836 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 109.78 17.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.11 162.31 18.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.715 1.206 . . . . 0.0 108.866 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.36 48.23 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 112.436 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.5 24.12 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.427 -0.795 . . . . 0.0 112.122 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.57 -9.05 60.44 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.863 2.173 . . . . 0.0 112.291 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.12 -7.14 50.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.225 2.012 . . . . 0.0 111.033 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.6 m -138.48 132.85 31.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -126.42 123.56 38.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.17 94.44 5.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.9 mt -91.71 112.75 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.83 1.252 . . . . 0.0 107.745 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 135.8 54.47 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.11 147.82 25.48 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.67 1.188 . . . . 0.0 112.035 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.47 -7.76 21.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.657 1.583 . . . . 0.0 112.479 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -178.578 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.09 167.27 26.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.552 1.541 . . . . 0.0 107.495 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.3 m -126.82 108.26 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.76 120.81 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -91.51 134.59 34.52 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.3 136.6 52.99 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.628 1.571 . . . . 0.0 107.649 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -117.48 132.29 56.58 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.789 2.036 . . . . 0.0 107.412 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -117.51 126.34 52.42 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.249 1.42 . . . . 0.0 107.368 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.68 107.81 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -88.01 158.74 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.136 0.974 . . . . 0.0 112.11 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.645 1.178 . . . . 0.0 108.749 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.21 2.95 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.898 2.079 . . . . 0.0 110.807 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.42 -4.49 49.37 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 120.897 -1.127 . . . . 0.0 112.467 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -81.64 160.28 23.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.512 1.525 . . . . 0.0 108.677 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -134.56 156.16 49.16 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -152.28 146.0 25.05 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -130.96 134.78 47.04 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 163.35 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.158 1.383 . . . . 0.0 108.664 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -141.5 132.29 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.5 127.79 45.89 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -111.02 158.28 18.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.935 0.894 . . . . 0.0 109.204 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.62 -149.73 19.11 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 107.489 -2.244 . . . . 0.0 107.489 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 p -77.23 156.71 31.29 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.6 -53.23 32.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.707 1.203 . . . . 0.0 113.639 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.77 -39.02 87.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.009 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -59.43 5.43 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.751 0.82 . . . . 0.0 109.941 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.1 65.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.394 0.678 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -68.38 -43.46 77.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.996 -0.44 . . . . 0.0 110.34 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -35.74 81.42 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.092 -1.005 . . . . 0.0 111.61 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.27 -40.27 95.64 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.908 0.883 . . . . 0.0 109.466 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.2 93.34 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.39 -28.75 62.19 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.845 -0.534 . . . . 0.0 110.785 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.28 21.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.995 1.318 . . . . 0.0 108.755 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.24 -34.87 75.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.7 65.79 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.622 -1.299 . . . . 0.0 110.458 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.47 -36.5 82.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.76 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -68.0 -39.1 83.29 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.459 1.027 . . . . 0.0 109.039 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.81 -26.3 66.0 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.869 0.868 . . . . 0.0 111.05 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.11 -22.84 61.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -60.06 3.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.718 0.69 . . . . 0.0 112.301 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.05 -23.17 21.52 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.96 -20.43 21.38 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.635 0.652 . . . . 0.0 112.602 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.88 -170.77 32.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.46 165.7 3.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.196 0.998 . . . . 0.0 111.298 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -148.6 160.94 42.63 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.931 1.292 . . . . 0.0 109.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 p -124.48 173.3 8.54 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.318 1.847 . . . . 0.0 107.639 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.34 132.29 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.91 127.45 41.95 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.7 t -100.21 117.73 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.55 170.76 15.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.137 1.775 . . . . 0.0 107.699 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.79 34.63 10.47 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.96 1.704 . . . . 0.0 112.292 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 58.39 28.72 17.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.241 1.416 . . . . 0.0 112.173 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.85 69.61 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.037 -1.424 . . . . 0.0 114.339 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.45 -9.2 59.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.531 2.166 . . . . 0.0 113.387 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 m -132.78 113.29 12.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.1 mt -100.6 132.52 45.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -124.73 100.19 6.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -98.54 136.83 27.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -131.88 125.76 32.53 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -81.32 133.52 35.44 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.351 0.596 . . . . 0.0 111.393 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.46 -21.65 66.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.71 1.604 . . . . 0.0 112.564 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.677 0 C-N-CA 125.313 1.435 . . . . 0.0 110.924 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.95 175.14 11.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 125.509 1.524 . . . . 0.0 109.234 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.07 110.49 12.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -96.74 117.77 41.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -91.0 108.13 19.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.05 111.57 23.55 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.382 1.073 . . . . 0.0 109.616 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -87.35 131.58 34.23 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -122.18 126.59 48.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.86 119.43 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -90.06 154.67 19.62 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.45 65.81 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.445 0.298 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.16 -3.0 23.86 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.608 0.718 . . . . 0.0 109.91 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.9 -10.48 74.42 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 127.881 2.658 . . . . 0.0 114.717 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -64.83 151.15 46.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.52 1.128 . . . . 0.0 111.33 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -117.48 143.26 46.23 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.998 0.919 . . . . 0.0 110.766 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -149.96 146.74 27.2 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.252 1.821 . . . . 0.0 109.796 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.67 139.99 52.37 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.469 0.707 . . . . 0.0 109.783 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 154.61 43.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.5 2.32 . . . . 0.0 107.279 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -135.82 109.77 8.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -97.48 129.81 44.63 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -110.85 153.77 24.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.691 1.596 . . . . 0.0 108.895 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.35 -155.9 20.63 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -70.6 161.55 30.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.16 -50.46 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.658 0.783 . . . . 0.0 110.552 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -59.73 -48.68 80.71 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.08 0.952 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -55.05 -57.16 12.84 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 124.887 1.275 . . . . 0.0 110.012 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.91 71.06 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.545 1.138 . . . . 0.0 111.302 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -68.37 -47.68 66.75 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -61.31 -35.63 77.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.907 0.483 . . . . 0.0 110.29 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.19 -41.3 98.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 118.332 0.514 . . . . 0.0 110.168 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.14 93.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.981 0.355 . . . . 0.0 110.8 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.69 -31.43 63.43 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.835 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.23 59.74 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.823 1.249 . . . . 0.0 109.182 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.8 -47.2 86.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.114 1.366 . . . . 0.0 109.323 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.24 -30.38 70.41 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.427 -0.796 . . . . 0.0 111.28 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.04 -36.39 83.83 Favored 'General case' 0 C--O 1.228 -0.053 0 CA-C-N 118.325 0.511 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -22.97 64.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.874 0.307 . . . . 0.0 111.277 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.03 -12.76 24.43 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 124.083 0.953 . . . . 0.0 112.013 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.74 -9.08 3.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.038 2.135 . . . . 0.0 113.608 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -78.56 -73.53 0.32 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.98 -12.94 61.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.395 0.998 . . . . 0.0 113.316 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -105.97 -9.6 17.0 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.914 0.779 . . . . 0.0 111.467 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.04 49.99 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.16 161.7 5.08 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 122.564 1.173 . . . . 0.0 110.479 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -134.88 164.69 27.02 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.765 0.793 . . . . 0.0 111.274 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.3 p -126.05 157.72 37.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.74 163.47 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 118.722 0.692 . . . . 0.0 111.178 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.41 141.88 32.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.202 2.201 . . . . 0.0 106.865 178.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.08 133.39 50.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.109 0.964 . . . . 0.0 108.476 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.26 166.75 23.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 46.4 45.13 13.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.257 1.423 . . . . 0.0 111.866 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 52.18 39.23 26.4 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.471 1.908 . . . . 0.0 111.58 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.92 72.43 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-O 118.217 -1.324 . . . . 0.0 113.351 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.02 -13.22 61.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.965 1.883 . . . . 0.0 110.08 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -129.28 123.14 31.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.18 133.33 56.14 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -118.95 97.2 5.58 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.484 0.713 . . . . 0.0 109.756 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.95 119.68 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 108.579 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 117.21 30.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.409 1.484 . . . . 0.0 107.597 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -79.91 136.08 36.57 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.812 0.845 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.16 -20.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.431 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.367 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 . . . . . 0 C--O 1.238 0.454 0 CA-C-O 121.804 0.812 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.88 170.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 126.283 1.833 . . . . 0.0 107.16 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -132.26 140.2 48.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.63 117.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -92.73 111.47 23.08 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.81 112.02 24.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.074 0.94 . . . . 0.0 108.636 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -85.1 129.34 34.82 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 119.18 32.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -114.54 100.63 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 125.492 1.517 . . . . 0.0 108.503 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -71.31 154.19 41.8 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.715 0.806 . . . . 0.0 109.731 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.05 61.89 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.601 1.161 . . . . 0.0 109.71 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -62.33 -22.26 65.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.204 1.402 . . . . 0.0 113.139 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.1 -21.76 10.04 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.702 1.144 . . . . 0.0 113.159 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 t -70.13 177.14 3.38 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 0.0 110.423 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.06 147.33 32.46 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 127.001 2.12 . . . . 0.0 106.821 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -151.59 145.89 25.44 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.42 135.63 48.92 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.03 160.76 30.93 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.525 1.53 . . . . 0.0 108.685 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.48 149.14 43.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -137.13 129.36 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -117.34 146.26 43.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.757 1.223 . . . . 0.0 108.874 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.88 -156.35 24.25 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.52 154.69 40.83 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.62 -42.18 82.83 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -60.24 -24.33 64.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.662 1.185 . . . . 0.0 111.971 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -90.36 -55.85 3.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.92 69.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.391 0.676 . . . . 0.0 111.373 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m -65.05 -45.48 85.2 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.414 -0.804 . . . . 0.0 109.428 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -63.45 -35.93 82.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.251 0.62 . . . . 0.0 111.121 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.98 -38.74 69.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.216 0.607 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.39 80.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.298 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.29 -32.28 64.55 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.23 82.72 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.907 -1.12 . . . . 0.0 111.134 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -62.39 -50.71 70.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.211 1.004 . . . . 0.0 110.15 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -31.25 71.65 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.842 -0.536 . . . . 0.0 112.041 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -36.74 84.72 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.935 -0.478 . . . . 0.0 112.203 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -5.58 40.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.568 -0.708 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -107.55 -24.53 11.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.217 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -53.21 -34.04 55.33 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.891 2.477 . . . . 0.0 114.247 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.7 -33.05 67.98 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.43 -24.68 9.17 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.207 0.912 . . . . 0.0 111.706 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -84.26 -19.91 33.09 Favored 'General case' 0 C--O 1.226 -0.143 0 O-C-N 121.28 -0.887 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.04 -171.73 35.95 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.37 160.3 16.35 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 122.473 1.13 . . . . 0.0 109.897 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -134.49 168.8 18.29 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.188 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -133.46 168.61 18.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 127.016 2.126 . . . . 0.0 105.654 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -141.96 158.06 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.143 -0.973 . . . . 0.0 110.397 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -141.75 118.96 11.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 p -82.58 133.96 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.568 1.547 . . . . 0.0 109.726 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.56 162.54 34.83 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.178 1.391 . . . . 0.0 108.772 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' GLY . 73.1 m-20 51.55 48.96 21.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.516 1.126 . . . . 0.0 109.782 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 66.79 -9.73 0.33 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.246 1.819 . . . . 0.0 112.0 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 127.82 -0.84 6.78 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 129.073 3.225 . . . . 0.0 111.622 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -67.55 -16.13 64.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.058 1.429 . . . . 0.0 110.004 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -129.56 130.89 46.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -123.88 132.51 53.76 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.641 1.176 . . . . 0.0 109.215 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -107.65 111.21 23.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mt -116.92 125.0 73.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -126.11 136.71 53.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.069 1.347 . . . . 0.0 107.947 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -103.28 132.12 49.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.481 1.113 . . . . 0.0 109.448 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.5 -59.2 2.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.873 0.869 . . . . 0.0 112.387 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 126.736 2.112 . . . . 0.0 108.786 -179.345 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 120.966 0.412 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 m -136.23 175.28 10.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 127.031 2.132 . . . . 0.0 109.274 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 m -130.7 140.49 50.36 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.547 1.539 . . . . 0.0 106.947 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -124.84 120.09 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HZ3' HG23 ' A' ' 19' ' ' THR . 11.2 tmtt? -91.16 96.12 10.42 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.328 1.451 . . . . 0.0 107.472 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.25 112.38 22.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.822 0.82 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.48 131.14 34.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 103.652 -2.722 . . . . 0.0 103.652 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mt -121.95 124.64 44.51 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.07 100.52 7.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -76.69 152.99 35.54 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.992 1.317 . . . . 0.0 111.623 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.47 74.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.685 1.594 . . . . 0.0 110.9 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.07 -19.92 55.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.264 1.025 . . . . 0.0 111.104 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.3 -10.91 43.47 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.214 1.388 . . . . 0.0 110.092 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -73.98 160.41 31.37 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 118.009 0.905 . . . . 0.0 108.954 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 p -128.64 157.91 40.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -151.94 147.07 26.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.079 1.352 . . . . 0.0 107.671 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.515 HG23 ' HZ3' ' A' ' 7' ' ' LYS . 18.9 m -129.99 133.73 46.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.22 114.81 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.325 1.45 . . . . 0.0 108.192 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -97.24 109.62 22.34 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -92.92 136.66 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -127.41 154.85 44.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.96 1.304 . . . . 0.0 111.264 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.84 -152.24 17.99 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 125.291 1.424 . . . . 0.0 109.69 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 p -67.95 159.13 31.23 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.511 -0.994 . . . . 0.0 109.407 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -53.56 -51.32 63.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.28 1.032 . . . . 0.0 109.966 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.52 -54.54 35.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.808 1.643 . . . . 0.0 111.602 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.74 -63.45 1.29 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.104 1.762 . . . . 0.0 111.026 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.91 68.59 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.451 0.7 . . . . 0.0 112.645 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -68.29 -49.59 59.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.762 -0.586 . . . . 0.0 109.492 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -65.61 -35.34 80.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.34 0.518 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.03 -41.19 91.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.313 1.045 . . . . 0.0 110.818 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.22 91.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.456 0.302 . . . . 0.0 110.283 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -73.07 -32.48 65.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.87 66.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.065 0.946 . . . . 0.0 109.977 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -71.85 -44.22 64.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.01 76.63 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.581 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -35.47 77.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 111.403 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -9.15 52.19 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 110.332 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.2 mt -106.63 -13.75 15.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.882 1.673 . . . . 0.0 111.144 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.11 -28.14 66.25 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.26 1.824 . . . . 0.0 115.869 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.35 -41.65 89.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.182 1.355 . . . . 0.0 113.65 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.15 -22.51 12.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.093 0.86 . . . . 0.0 113.138 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -93.6 -20.64 20.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 -170.38 42.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -66.34 169.45 7.3 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.41 1.1 . . . . 0.0 111.525 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -151.38 173.42 14.54 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.581 1.553 . . . . 0.0 109.486 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 p -132.29 167.41 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.5 132.56 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 122.087 -0.383 . . . . 0.0 111.631 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.97 141.18 37.79 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -104.27 112.29 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.87 174.03 8.22 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.981 1.313 . . . . 0.0 111.116 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 45.63 57.21 5.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.604 1.962 . . . . 0.0 110.019 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 57.87 1.42 0.14 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.62 14.25 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.074 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -108.9 -8.39 15.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.236 1.518 . . . . 0.0 112.56 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.6 m -126.27 103.19 7.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 120.076 1.307 . . . . 0.0 107.755 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.6 mt -93.82 131.58 39.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.72 95.59 5.41 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.7 mt -97.25 129.85 46.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.22 124.85 31.46 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.57 127.61 33.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.352 0.661 . . . . 0.0 110.256 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.05 -59.05 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.73 1.612 . . . . 0.0 108.666 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 122.917 0.294 . . . . 0.0 113.447 179.469 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.79 172.59 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 127.102 2.161 . . . . 0.0 107.323 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -126.63 133.49 50.99 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.08 132.65 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -110.9 139.57 46.12 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.43 119.16 31.28 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.691 0.797 . . . . 0.0 110.173 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -84.77 131.07 34.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -111.98 115.01 28.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.69 105.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -85.49 159.17 19.99 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.109 0.564 . . . . 0.0 112.375 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.62 68.64 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -71.63 6.82 1.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.466 1.906 . . . . 0.0 111.905 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.57 -15.46 7.53 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 120.07 -1.644 . . . . 0.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 p -72.06 159.54 34.01 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.666 1.586 . . . . 0.0 109.691 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 p -133.24 155.49 49.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.774 0.83 . . . . 0.0 109.778 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -152.26 146.93 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.71 2.004 . . . . 0.0 106.176 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -122.12 137.96 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.3 150.41 43.59 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -137.39 144.77 42.62 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.73 147.15 40.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.691 1.596 . . . . 0.0 108.169 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -129.54 148.92 51.49 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.447 2.299 . . . . 0.0 107.198 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.58 -155.83 24.97 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.4 p -69.57 162.66 27.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.27 -48.57 80.05 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.16 -51.22 70.53 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.837 1.255 . . . . 0.0 111.267 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -62.87 -58.99 5.5 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.576 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -42.19 62.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.745 0.702 . . . . 0.0 111.071 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -61.77 -48.94 78.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -63.01 -35.13 79.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.21 0.604 . . . . 0.0 112.187 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.66 -41.75 99.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.398 0.999 . . . . 0.0 109.905 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.26 77.36 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.125 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -74.28 -31.33 62.49 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.163 -0.336 . . . . 0.0 110.33 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.9 89.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -64.99 -48.79 72.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.074 0.949 . . . . 0.0 108.482 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.39 70.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 111.677 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -36.35 82.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.152 1.381 . . . . 0.0 112.111 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -34.65 78.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.689 -0.632 . . . . 0.0 110.357 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -83.33 -15.22 50.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.865 1.266 . . . . 0.0 112.819 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -57.71 -27.75 63.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.502 1.521 . . . . 0.0 113.804 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.23 -61.15 1.98 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.736 1.153 . . . . 0.0 111.478 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.27 -17.85 47.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -104.96 -14.26 15.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.174 0.897 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.98 -164.83 32.69 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 119.266 0.939 . . . . 0.0 114.46 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.93 162.62 6.72 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 122.092 0.948 . . . . 0.0 110.236 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -147.02 154.25 40.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.475 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.4 p -141.98 118.73 11.09 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 127.319 2.248 . . . . 0.0 108.16 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -94.69 143.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.73 141.61 45.13 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.87 126.02 46.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 109.62 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.85 152.46 47.84 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 50.87 42.06 27.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.869 1.268 . . . . 0.0 110.358 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 65.97 -1.41 1.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.714 2.006 . . . . 0.0 113.062 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.0 5.52 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 126.333 1.921 . . . . 0.0 110.463 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -62.28 -12.88 23.13 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 119.727 1.763 . . . . 0.0 111.811 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -129.27 101.88 6.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -96.55 112.13 23.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -94.45 91.06 6.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.0 mt -88.78 101.91 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.804 1.641 . . . . 0.0 109.295 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -103.34 137.1 41.92 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.625 1.97 . . . . 0.0 112.417 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.47 138.46 34.87 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.638 1.175 . . . . 0.0 111.873 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.45 -16.09 33.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.246 0.618 . . . . 0.0 111.367 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -178.396 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.2 m -138.34 162.93 29.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 124.773 1.229 . . . . 0.0 108.213 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -108.32 118.62 37.24 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.401 1.08 . . . . 0.0 108.36 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -106.02 121.22 58.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -91.37 135.04 34.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.78 118.63 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -97.87 116.2 29.61 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -115.97 103.47 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.898 0.879 . . . . 0.0 109.929 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.81 125.83 45.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.06 151.48 19.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.6 50.79 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -90.35 16.13 9.32 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.967 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.98 -5.94 80.92 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.575 1.083 . . . . 0.0 113.633 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -99.64 175.78 5.7 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 118.748 1.274 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -145.89 172.4 13.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.392 1.077 . . . . 0.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.97 137.21 18.45 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -134.21 138.54 45.17 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.29 162.08 36.39 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.649 0.78 . . . . 0.0 111.689 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.57 109.16 7.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -102.47 144.47 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.28 167.42 16.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 123.444 0.697 . . . . 0.0 111.526 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.02 -158.34 20.93 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 p -64.17 158.79 22.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -50.46 -51.26 48.55 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.279 1.032 . . . . 0.0 111.938 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.23 -35.29 80.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -69.41 -52.92 22.28 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 119.244 0.929 . . . . 0.0 110.413 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -26.14 68.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 118.464 -1.294 . . . . 0.0 110.727 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -66.21 -54.61 23.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -62.4 -35.43 79.17 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.27 -44.71 96.79 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 119.073 0.851 . . . . 0.0 110.473 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.19 90.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.67 -30.85 63.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.421 -0.8 . . . . 0.0 111.601 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.31 78.29 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.594 1.558 . . . . 0.0 109.361 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.2 -45.82 68.98 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.124 0.969 . . . . 0.0 109.842 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -31.86 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.41 -0.806 . . . . 0.0 110.89 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.78 -36.89 83.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.842 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -76.84 7.74 4.45 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.399 1.0 . . . . 0.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.95 -10.22 7.7 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.39 1.876 . . . . 0.0 109.996 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -64.34 -20.91 66.41 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.852 1.661 . . . . 0.0 114.84 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -84.27 -35.7 23.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.399 0.999 . . . . 0.0 111.672 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -92.21 -16.85 25.66 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.477 0.711 . . . . 0.0 112.586 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -117.23 -11.58 10.63 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.69 -173.05 39.73 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 121.812 0.673 . . . . 0.0 112.559 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -64.75 162.84 15.18 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.3 p-90 -141.58 158.2 44.13 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.804 0.812 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -113.12 158.14 20.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.1 147.8 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.48 136.24 46.56 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.54 105.8 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.519 1.528 . . . . 0.0 107.249 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.0 -178.29 4.13 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.786 1.235 . . . . 0.0 109.436 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 42.2 59.22 2.71 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.337 2.255 . . . . 0.0 111.718 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 53.0 17.06 0.82 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.41 7.64 48.49 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 120.916 -1.115 . . . . 0.0 111.938 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.83 -10.44 19.09 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.977 1.388 . . . . 0.0 112.585 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.2 m -131.67 119.34 21.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 120.483 1.492 . . . . 0.0 108.506 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -104.8 131.08 52.7 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.085 1.354 . . . . 0.0 107.899 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -107.17 97.46 7.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.82 132.38 45.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -131.44 130.3 42.34 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 121.072 -1.017 . . . . 0.0 109.587 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.35 141.71 29.0 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 -17.98 15.06 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmt . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -146.26 131.08 18.04 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.3 -177.29 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.404 2.282 . . . . 0.0 109.394 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.43 174.86 4.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 111.187 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 m -129.11 133.68 47.75 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -118.79 132.6 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -110.47 109.52 19.91 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.451 1.1 . . . . 0.0 109.476 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.46 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -106.75 121.47 44.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 103.148 -2.908 . . . . 0.0 103.148 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.17 121.86 46.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.97 109.89 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 126.407 1.883 . . . . 0.0 106.873 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -83.33 155.45 23.55 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.199 0.6 . . . . 0.0 111.811 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -24.45 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.496 0.318 . . . . 0.0 110.764 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -66.73 -27.59 67.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 109.456 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.34 -12.26 19.16 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 126.023 1.773 . . . . 0.0 112.983 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.03 170.17 13.41 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 118.641 1.221 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.86 160.11 39.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.779 0.832 . . . . 0.0 109.352 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.05 145.94 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 126.106 1.762 . . . . 0.0 107.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.81 138.47 54.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.87 117.3 12.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 121.668 -0.645 . . . . 0.0 109.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -96.49 133.34 41.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -122.04 144.06 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.921 1.688 . . . . 0.0 106.642 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -127.6 148.83 50.36 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.245 1.018 . . . . 0.0 108.613 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.35 -161.4 26.06 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -67.32 163.99 19.44 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.647 -0.913 . . . . 0.0 109.784 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -53.62 -40.66 65.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.414 1.486 . . . . 0.0 110.416 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -73.52 -46.28 48.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.237 1.415 . . . . 0.0 111.977 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -54.62 36.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.402 1.081 . . . . 0.0 111.585 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.24 66.95 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.53 0.604 . . . . 0.0 111.388 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -68.22 -44.62 75.33 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.679 0.672 . . . . 0.0 109.644 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.9 t -60.19 -36.17 77.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.299 0.64 . . . . 0.0 110.979 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.98 -37.65 66.95 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.714 0.806 . . . . 0.0 110.605 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.03 93.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.99 -29.41 63.01 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.24 -0.41 . . . . 0.0 109.917 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.3 70.79 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 119.475 1.034 . . . . 0.0 109.271 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.77 -46.82 87.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.36 90.83 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.588 -0.695 . . . . 0.0 111.039 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.51 -37.36 87.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 117.79 -1.1 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -37.47 77.65 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.32 -17.05 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.965 0.506 . . . . 0.0 112.263 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -23.22 61.84 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.785 0.834 . . . . 0.0 113.187 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.58 -39.64 67.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.643 1.11 . . . . 0.0 112.51 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.52 -3.13 25.71 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -125.66 -9.71 6.77 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.181 0.992 . . . . 0.0 112.622 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.96 -178.02 53.7 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 121.836 0.687 . . . . 0.0 113.149 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.5 153.47 15.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.608 -0.796 . . . . 0.0 109.802 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -137.6 167.56 21.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.434 1.112 . . . . 0.0 111.426 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -123.3 158.42 31.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.09 144.97 25.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.92 141.79 51.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.54 1.136 . . . . 0.0 110.459 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.49 120.03 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.339 1.456 . . . . 0.0 109.367 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.57 164.27 26.2 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.781 1.232 . . . . 0.0 108.185 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.24 53.21 8.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.558 1.543 . . . . 0.0 110.632 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 57.07 18.72 4.21 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.722 1.609 . . . . 0.0 114.663 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.77 -13.73 45.96 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.507 1.527 . . . . 0.0 112.501 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.43 -12.96 61.32 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.316 1.058 . . . . 0.0 111.513 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.8 m -127.79 129.09 46.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -122.74 131.52 53.82 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.693 0.797 . . . . 0.0 108.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.92 120.83 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -123.34 122.23 64.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -121.14 127.64 51.76 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -85.49 125.78 33.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.28 58.57 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.245 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.66 1.6 . . . . 0.0 110.68 -179.76 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.93 107.98 9.77 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -134.7 163.27 30.14 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.444 1.098 . . . . 0.0 110.383 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.62 173.78 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 128.207 2.603 . . . . 0.0 108.13 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -135.41 100.74 4.6 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.029 0.932 . . . . 0.0 109.221 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.0 mt -92.51 131.99 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -102.32 138.11 39.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 126.984 2.114 . . . . 0.0 109.16 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.71 119.67 32.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.792 1.237 . . . . 0.0 109.716 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -98.61 116.77 31.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.76 104.36 14.65 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.301 1.44 . . . . 0.0 108.383 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.46 103.01 14.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -77.62 157.7 30.12 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.388 -0.82 . . . . 0.0 111.692 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.08 92.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.303 0.641 . . . . 0.0 109.818 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -63.36 -7.67 7.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.928 2.091 . . . . 0.0 114.253 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.32 -17.74 58.09 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.837 1.208 . . . . 0.0 114.703 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -76.58 174.87 9.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.606 1.703 . . . . 0.0 107.048 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -143.81 162.96 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.499 1.12 . . . . 0.0 109.874 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -150.13 145.64 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -133.28 138.33 46.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.54 163.9 32.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.33 153.28 51.9 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.7 134.83 43.54 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 127.063 2.145 . . . . 0.0 106.852 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -116.14 140.84 48.88 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.609 1.164 . . . . 0.0 108.527 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.12 -156.06 26.81 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.53 159.38 34.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.22 -45.59 79.84 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.693 -0.63 . . . . 0.0 110.243 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -70.73 -11.9 61.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.675 1.19 . . . . 0.0 112.076 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -62.66 1.45 Allowed 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.74 84.76 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.558 1.143 . . . . 0.0 113.494 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -64.5 -45.68 86.25 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -66.91 -36.37 82.1 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.512 1.125 . . . . 0.0 112.44 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.48 -31.96 60.41 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.243 -0.911 . . . . 0.0 110.047 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.42 83.09 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.98 -30.9 64.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.36 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.41 77.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -61.39 -41.17 96.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.086 0.954 . . . . 0.0 110.345 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.6 82.29 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.58 -36.17 82.97 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.044 -1.035 . . . . 0.0 112.896 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -67.56 -37.62 82.91 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.508 1.049 . . . . 0.0 108.947 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.8 -18.15 62.75 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.315 1.046 . . . . 0.0 113.189 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -54.81 -25.4 28.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.952 1.301 . . . . 0.0 111.961 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -51.56 -37.21 48.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.875 2.07 . . . . 0.0 112.55 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -126.84 -17.65 4.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.065 0.946 . . . . 0.0 112.281 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -96.49 -8.8 31.15 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.76 -170.56 51.21 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 119.306 0.957 . . . . 0.0 113.282 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -57.61 158.06 6.43 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.723 1.209 . . . . 0.0 110.542 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -151.43 164.37 36.88 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.091 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.6 p -134.36 172.77 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.841 1.656 . . . . 0.0 107.528 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.61 153.2 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.284 1.034 . . . . 0.0 108.868 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 116.19 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.4 t -83.55 111.03 19.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.554 1.542 . . . . 0.0 108.767 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.78 173.72 10.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.735 1.214 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.42 36.22 19.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.986 1.714 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 67.44 21.84 9.53 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.24 2.216 . . . . 0.0 111.101 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.14 -1.9 63.16 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.418 1.485 . . . . 0.0 111.612 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -81.34 -9.76 59.68 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.541 1.671 . . . . 0.0 111.885 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.5 m -134.46 121.18 20.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.22 127.28 54.88 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.832 1.653 . . . . 0.0 107.55 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -108.73 99.19 8.58 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.9 mt -95.89 132.88 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.745 1.618 . . . . 0.0 107.063 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -131.03 136.18 48.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.53 150.04 24.96 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.357 1.063 . . . . 0.0 110.394 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.44 -13.32 18.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.443 1.497 . . . . 0.0 113.855 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -178.232 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -159.52 117.9 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -96.74 177.68 5.57 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.292 1.437 . . . . 0.0 107.449 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.69 167.57 12.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.559 1.144 . . . . 0.0 108.017 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 m -132.91 101.29 5.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.5 124.85 48.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.497 1.119 . . . . 0.0 108.194 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -91.64 140.03 30.12 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.29 111.7 17.69 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -86.8 120.63 28.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -113.06 117.73 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.13 114.19 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -79.84 147.75 31.63 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.842 0.829 . . . . 0.0 110.343 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -22.47 61.7 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.695 1.198 . . . . 0.0 108.9 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -66.13 -23.63 66.52 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.129 0.571 . . . . 0.0 111.328 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.58 -17.73 7.31 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 125.334 1.445 . . . . 0.0 113.484 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -85.05 172.09 11.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.119 1.459 . . . . 0.0 113.095 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -136.09 156.76 48.24 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.289 1.436 . . . . 0.0 108.831 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -151.55 146.51 25.92 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.535 1.934 . . . . 0.0 107.241 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -123.16 138.61 54.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.21 156.14 49.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.606 1.563 . . . . 0.0 107.276 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -134.96 132.8 38.82 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -118.5 130.24 55.82 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 125.265 1.426 . . . . 0.0 109.068 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -114.78 157.56 23.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.918 1.287 . . . . 0.0 108.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.7 -165.04 21.68 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 p -70.98 170.42 12.81 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.116 0.958 . . . . 0.0 108.558 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -55.99 -47.73 77.18 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.189 -0.319 . . . . 0.0 110.514 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.91 -44.92 96.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.615 1.166 . . . . 0.0 111.226 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.2 -63.87 1.11 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.854 1.262 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.87 63.29 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.963 0.905 . . . . 0.0 111.729 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -53.42 51.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.034 0.533 . . . . 0.0 110.572 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -62.8 -36.5 83.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.846 0.458 . . . . 0.0 111.812 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -69.68 -36.26 75.84 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.76 -0.587 . . . . 0.0 110.61 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.32 97.22 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.03 0.377 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.79 -31.67 65.03 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.306 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.86 84.07 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.94 -37.31 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.347 0.659 . . . . 0.0 110.734 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.75 51.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.29 -36.73 78.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.063 0.945 . . . . 0.0 112.055 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.5 t -71.24 -8.56 54.44 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.047 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.7 mt -108.63 -17.82 13.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.28 1.832 . . . . 0.0 109.574 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -59.55 -21.27 60.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.749 2.02 . . . . 0.0 112.596 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -73.09 -32.56 65.06 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.73 1.15 . . . . 0.0 112.02 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -101.85 -19.89 15.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.866 0.757 . . . . 0.0 112.567 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -102.01 -15.82 16.66 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.28 -176.52 46.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.09 165.8 1.78 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.532 1.158 . . . . 0.0 112.111 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -142.42 163.55 32.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.541 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -121.26 157.67 29.79 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.2 143.4 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -120.79 141.31 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.956 1.302 . . . . 0.0 108.295 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -102.37 111.53 32.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.82 179.6 4.75 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.103 1.761 . . . . 0.0 111.992 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 48.29 51.17 15.42 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.042 1.737 . . . . 0.0 109.878 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 56.38 10.33 0.65 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.137 1.775 . . . . 0.0 114.142 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.58 -9.4 12.98 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.291 1.9 . . . . 0.0 113.155 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.63 -7.5 59.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.193 1.497 . . . . 0.0 113.465 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -135.48 129.96 33.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 120.357 1.435 . . . . 0.0 109.199 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.7 131.26 56.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.945 1.698 . . . . 0.0 106.916 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -110.81 91.87 3.83 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.1 mt -90.21 127.23 42.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 125.864 1.666 . . . . 0.0 108.904 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -128.84 122.12 29.75 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.279 1.032 . . . . 0.0 110.22 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -79.84 153.19 29.26 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.6 0.55 11.01 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.835 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -127.79 94.64 4.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.5 161.99 26.68 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 m -148.86 175.01 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 127.521 2.328 . . . . 0.0 107.227 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -127.33 103.8 7.58 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 109.348 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.01 121.21 39.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 124.888 1.275 . . . . 0.0 108.311 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -96.96 127.05 42.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.86 111.61 23.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -87.5 113.06 22.86 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 104.392 -2.447 . . . . 0.0 104.392 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.07 103.73 13.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.805 0.73 . . . . 0.0 110.13 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.35 123.01 44.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -89.69 151.82 21.67 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 124.27 1.028 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.39 64.73 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.446 1.098 . . . . 0.0 110.654 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -73.99 9.97 1.36 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.996 1.719 . . . . 0.0 112.098 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.33 18.08 79.15 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.22 -1.55 . . . . 0.0 109.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -111.96 174.92 5.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.909 1.683 . . . . 0.0 109.184 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -148.48 157.71 43.65 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.413 -0.804 . . . . 0.0 111.885 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -151.85 146.19 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.839 2.056 . . . . 0.0 106.081 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -134.33 138.5 44.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.513 1.051 . . . . 0.0 108.262 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.47 154.25 40.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.612 1.565 . . . . 0.0 106.985 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.75 108.46 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -95.85 152.03 18.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.531 1.132 . . . . 0.0 109.334 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -131.51 147.0 52.5 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.666 0.786 . . . . 0.0 108.897 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -160.66 26.67 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 107.431 -2.267 . . . . 0.0 107.431 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -65.37 159.56 23.83 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -51.69 -51.61 54.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.944 0.898 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -68.89 -40.17 79.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.615 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.05 -50.23 74.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.05 86.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.536 0.734 . . . . 0.0 111.477 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -60.56 -42.81 97.35 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -63.24 -35.57 80.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.128 0.571 . . . . 0.0 110.211 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.8 -42.14 82.06 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.374 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.05 -40.83 86.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.629 0.65 . . . . 0.0 110.869 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.15 -31.28 64.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.316 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.94 72.09 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -60.1 -46.51 89.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.06 1.344 . . . . 0.0 108.585 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.03 92.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.238 -0.914 . . . . 0.0 109.935 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.47 -34.84 79.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.712 -1.243 . . . . 0.0 110.965 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -16.27 43.81 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.918 1.287 . . . . 0.0 111.348 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -111.6 -8.28 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.867 1.667 . . . . 0.0 112.814 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -77.57 66.59 3.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.058 2.943 . . . . 0.0 106.567 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -155.97 -81.36 0.07 Allowed 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 102.941 -2.985 . . . . 0.0 102.941 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.17 -10.41 59.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -113.32 -17.28 12.33 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.273 -0.87 . . . . 0.0 113.047 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 -163.25 33.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.442 1.019 . . . . 0.0 111.273 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.14 168.66 11.69 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.724 0.773 . . . . 0.0 111.099 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -145.41 161.36 39.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.411 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -128.05 148.58 50.56 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 127.182 2.193 . . . . 0.0 105.909 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.1 150.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.082 0.953 . . . . 0.0 109.964 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -127.17 122.24 33.56 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.966 1.706 . . . . 0.0 107.506 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.09 103.14 9.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.99 169.14 10.77 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.095 0.958 . . . . 0.0 112.533 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 t0 48.62 56.29 7.8 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.389 1.876 . . . . 0.0 111.238 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 58.36 17.72 4.98 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.777 1.231 . . . . 0.0 111.397 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.82 4.82 60.17 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.766 1.65 . . . . 0.0 112.016 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -82.13 -22.01 36.38 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.364 1.582 . . . . 0.0 110.389 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.4 m -121.53 122.04 38.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.6 mt -109.48 110.45 21.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.4 107.27 19.09 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.65 138.69 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.803 0.841 . . . . 0.0 109.08 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.07 136.44 48.44 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.847 1.659 . . . . 0.0 109.541 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -98.18 154.04 18.04 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.418 1.008 . . . . 0.0 108.768 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 -19.09 15.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.668 0.787 . . . . 0.0 112.514 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -131.05 118.91 21.24 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.465 1.906 . . . . 0.0 107.756 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 m -119.36 174.86 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.265 1.426 . . . . 0.0 108.871 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.2 m -136.9 107.55 6.56 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 126.26 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -91.91 128.93 37.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.46 21.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -93.02 123.65 36.42 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.36 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 125.613 1.565 . . . . 0.0 107.448 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.6 105.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -75.09 151.97 38.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -80.85 -6.41 58.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.274 1.029 . . . . 0.0 112.989 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.74 -23.81 16.49 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.721 -1.044 . . . . 0.0 112.298 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 m -61.02 154.0 23.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.623 1.211 . . . . 0.0 109.236 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -141.58 130.99 23.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -138.91 145.47 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -134.35 139.78 45.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.019 0.827 . . . . 0.0 110.796 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.95 161.15 27.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.906 2.082 . . . . 0.0 107.699 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -134.28 109.3 8.74 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -97.1 151.6 19.61 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -131.17 167.49 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 111.509 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.4 -159.73 14.2 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 161.3 20.02 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.04 -53.23 28.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.251 1.42 . . . . 0.0 110.727 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -64.99 -30.36 71.35 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.53 -61.7 1.71 Allowed 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.362 0.665 . . . . 0.0 109.572 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -30.88 64.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.327 0.392 . . . . 0.0 111.398 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -68.56 -48.83 63.23 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -60.77 -35.77 77.26 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.289 0.636 . . . . 0.0 111.054 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.86 -41.94 99.56 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.919 0.781 . . . . 0.0 110.511 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.8 98.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 117.796 0.271 . . . . 0.0 111.008 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -72.48 -31.05 65.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.996 0.362 . . . . 0.0 110.244 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.31 81.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.312 1.045 . . . . 0.0 109.731 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -67.57 -41.19 84.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.652 1.181 . . . . 0.0 110.109 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.38 83.91 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.725 0.81 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.77 -36.66 84.62 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.226 -0.921 . . . . 0.0 112.764 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -74.25 0.93 12.62 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.62 -6.71 9.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.0 1.32 . . . . 0.0 111.328 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.39 -23.82 51.63 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.202 1.801 . . . . 0.0 113.253 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.73 -64.83 0.81 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.946 0.794 . . . . 0.0 110.556 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.07 -16.64 56.48 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 126.119 1.768 . . . . 0.0 114.818 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -110.24 -12.29 14.47 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.79 -178.0 52.3 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.62 165.77 6.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.548 0.69 . . . . 0.0 110.742 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -148.66 167.39 25.61 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -138.13 145.67 41.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.492 1.517 . . . . 0.0 108.571 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.5 t -117.48 151.45 19.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.14 140.59 52.44 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.689 1.596 . . . . 0.0 107.659 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.94 102.9 13.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 125.643 1.577 . . . . 0.0 109.845 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.19 164.23 14.79 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.035 0.934 . . . . 0.0 108.885 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.84 52.05 14.83 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.092 1.357 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 59.7 4.29 0.54 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 114.06 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.23 -16.58 8.64 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.265 2.364 . . . . 0.0 111.292 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -67.5 -9.47 42.5 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.189 1.495 . . . . 0.0 112.888 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.0 m -132.29 124.72 29.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.42 111.0 20.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -90.25 100.03 12.94 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mt -92.52 129.53 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -130.2 134.38 47.23 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.642 1.177 . . . . 0.0 108.816 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.34 156.11 16.59 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.23 -9.05 16.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.063 1.345 . . . . 0.0 112.956 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.427 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -139.88 113.52 8.61 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -121.23 171.39 8.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.54 2.336 . . . . 0.0 110.679 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -127.73 174.68 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.507 1.523 . . . . 0.0 111.541 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -127.34 133.88 50.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.35 120.03 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.552 1.941 . . . . 0.0 108.256 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -91.57 123.23 34.82 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.255 2.222 . . . . 0.0 110.392 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.05 115.05 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 119.667 1.121 . . . . 0.0 110.086 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -87.47 110.72 20.51 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.24 115.17 27.82 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -113.37 99.65 9.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.97 150.32 35.9 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 123.304 0.641 . . . . 0.0 110.286 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.07 -12.1 61.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.333 1.053 . . . . 0.0 112.303 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -75.92 -22.28 56.19 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.353 -0.842 . . . . 0.0 111.039 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.76 -22.69 9.84 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.657 1.599 . . . . 0.0 109.765 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -67.9 154.89 40.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.45 1.9 . . . . 0.0 109.641 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -136.93 159.73 41.01 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.608 -0.683 . . . . 0.0 110.083 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -152.59 146.45 25.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.843 1.657 . . . . 0.0 107.467 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -126.75 138.72 53.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.81 155.0 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.893 1.677 . . . . 0.0 107.578 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.69 109.16 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.26 153.16 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -131.27 161.89 31.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.684 0.794 . . . . 0.0 110.883 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.05 -160.05 22.81 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -65.3 164.99 12.41 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -53.91 -45.94 71.31 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.68 -52.82 55.19 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.687 -0.673 . . . . 0.0 111.17 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.77 -58.59 6.39 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.747 0.819 . . . . 0.0 111.814 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -34.8 70.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.68 0.392 . . . . 0.0 111.586 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.6 m -68.81 -50.12 52.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -61.05 -35.62 77.4 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.56 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -68.04 -43.16 79.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 109.734 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.67 96.13 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.111 -0.368 . . . . 0.0 110.68 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -73.65 -31.53 63.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.337 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.17 90.03 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.33 1.052 . . . . 0.0 109.192 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -65.1 -45.28 85.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.927 -0.483 . . . . 0.0 110.074 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.27 69.34 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.133 -0.98 . . . . 0.0 111.878 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.72 -36.32 83.91 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.454 -0.779 . . . . 0.0 112.443 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -70.85 -37.04 73.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.656 1.116 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.38 -26.23 66.35 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.7 0.8 . . . . 0.0 112.641 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.02 -27.06 29.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.011 1.324 . . . . 0.0 113.836 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -64.17 -62.39 1.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.107 0.867 . . . . 0.0 113.145 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.36 -23.62 37.59 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -92.09 -25.8 18.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 116.689 -1.624 . . . . 0.0 114.582 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.2 -176.86 25.93 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.99 1.757 . . . . 0.0 111.524 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.18 158.52 19.75 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 122.214 1.007 . . . . 0.0 111.049 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -132.01 174.99 9.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.057 0.932 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.8 p -137.46 161.96 34.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.23 2.612 . . . . 0.0 105.726 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.09 155.17 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 111.76 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -141.89 142.47 33.08 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 127.602 2.361 . . . . 0.0 106.3 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.17 134.52 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.026 1.33 . . . . 0.0 109.461 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.87 -176.6 4.73 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.699 2.0 . . . . 0.0 109.336 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 52.14 41.66 30.2 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.809 2.044 . . . . 0.0 112.001 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 63.86 17.67 10.67 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.047 1.739 . . . . 0.0 112.627 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.67 29.17 6.0 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.4 -8.75 9.57 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.252 1.026 . . . . 0.0 111.054 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -128.27 120.67 27.59 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -117.9 132.18 56.45 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.506 1.922 . . . . 0.0 107.859 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -113.71 117.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.21 107.2 20.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -110.96 136.28 50.2 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.486 0.714 . . . . 0.0 109.238 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -93.72 151.69 19.47 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.986 1.714 . . . . 0.0 108.568 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.79 3.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.376 0 C-N-CA 127.487 2.47 . . . . 0.0 110.335 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -151.2 136.43 17.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.011 0.924 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -156.67 168.7 26.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.6 2.36 . . . . 0.0 109.688 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.49 174.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 128.246 2.618 . . . . 0.0 107.845 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -129.5 124.55 34.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mt -115.73 126.25 73.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -98.35 138.87 34.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.51 116.31 25.82 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.37 1.068 . . . . 0.0 108.779 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -89.07 111.45 22.19 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 103.108 -2.923 . . . . 0.0 103.108 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.07 127.5 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.33 104.98 14.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -85.23 146.76 26.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -19.43 64.59 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -63.0 -21.74 66.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 111.184 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.67 -39.89 2.49 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.818 1.199 . . . . 0.0 112.537 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -71.24 163.55 27.42 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.037 1.418 . . . . 0.0 110.905 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -126.07 161.8 26.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.648 2.379 . . . . 0.0 106.69 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -152.71 146.24 24.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.737 0.815 . . . . 0.0 108.865 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -118.36 138.23 52.56 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.58 143.37 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -133.22 114.39 13.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -112.15 154.85 24.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.734 1.214 . . . . 0.0 110.332 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -131.25 167.15 19.69 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.924 0.89 . . . . 0.0 110.837 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.98 -166.19 19.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 125.575 1.56 . . . . 0.0 109.528 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.2 p -65.2 170.43 4.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.086 1.443 . . . . 0.0 108.459 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.7 -54.99 25.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.833 0.453 . . . . 0.0 111.089 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.7 -31.51 72.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 111.685 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -56.94 12.85 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.218 0.607 . . . . 0.0 109.784 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.98 79.13 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.98 0.512 . . . . 0.0 110.281 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -62.38 -52.55 63.17 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -58.9 -36.54 74.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.05 -44.91 62.6 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 119.479 1.036 . . . . 0.0 110.598 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.36 97.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.248 0.476 . . . . 0.0 110.493 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -73.69 -31.62 63.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.187 -0.435 . . . . 0.0 110.677 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.97 75.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.185 0.902 . . . . 0.0 108.672 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -66.1 -30.02 70.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.185 0.594 . . . . 0.0 110.422 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.26 -36.03 61.31 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.488 -1.383 . . . . 0.0 109.134 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.23 -36.26 81.45 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.44 1.096 . . . . 0.0 112.241 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -71.77 -6.67 43.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.334 -0.854 . . . . 0.0 112.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -114.05 -4.99 13.12 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.021 1.328 . . . . 0.0 111.557 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -59.58 -30.89 68.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.471 1.908 . . . . 0.0 113.483 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.32 -58.24 5.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 120.101 1.319 . . . . 0.0 112.154 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.54 -17.33 60.11 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -114.19 -15.09 12.25 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.48 -172.41 33.01 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -65.48 164.2 14.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -142.59 143.71 32.55 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.82 -0.55 . . . . 0.0 109.846 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 p -93.59 168.54 10.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.279 14.6 p -147.25 126.95 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 O-C-N 121.56 -0.712 . . . . 0.0 109.112 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -121.65 133.67 54.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.73 1.212 . . . . 0.0 108.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.75 134.59 26.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.324 1.05 . . . . 0.0 112.275 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.32 173.22 11.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.596 1.558 . . . . 0.0 108.744 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 43.71 52.11 6.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.883 2.073 . . . . 0.0 112.53 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.88 18.41 3.84 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.843 1.257 . . . . 0.0 114.125 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.42 -2.69 32.71 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.218 1.39 . . . . 0.0 112.266 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.05 -3.04 57.53 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.168 1.484 . . . . 0.0 111.656 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.8 m -134.2 142.06 47.26 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.7 131.16 51.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.48 1.512 . . . . 0.0 110.272 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -101.31 112.45 24.97 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 103.915 -2.624 . . . . 0.0 103.915 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.23 102.37 13.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -102.67 123.8 47.03 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.995 1.318 . . . . 0.0 107.481 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -82.98 137.36 34.19 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.33 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.292 1.037 . . . . 0.0 112.724 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.91 -2.076 . . . . 0.0 107.91 -179.038 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -151.3 148.04 27.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.373 1.469 . . . . 0.0 107.801 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.99 162.88 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 126.239 1.816 . . . . 0.0 109.833 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.69 174.92 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 127.516 2.326 . . . . 0.0 108.783 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -128.18 108.57 10.74 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -93.56 125.53 46.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -94.24 133.17 38.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.68 118.85 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.973 0.351 . . . . 0.0 111.719 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -86.0 122.84 30.61 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 126.082 1.753 . . . . 0.0 107.191 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.21 134.84 51.24 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.4 124.55 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.99 159.1 16.81 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.826 0.851 . . . . 0.0 111.038 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.49 15.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.789 1.636 . . . . 0.0 112.789 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -95.67 4.51 52.97 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.347 1.859 . . . . 0.0 107.863 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.71 -13.05 38.07 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 120.03 -1.669 . . . . 0.0 112.782 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 m -70.79 156.51 39.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.972 0.886 . . . . 0.0 109.704 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -138.46 150.56 46.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.798 1.239 . . . . 0.0 108.403 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -152.31 146.41 25.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.419 1.088 . . . . 0.0 108.717 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 133.09 55.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.083 1.31 . . . . 0.0 108.988 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.14 166.62 11.63 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.003 1.721 . . . . 0.0 110.19 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -143.39 126.18 16.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.433 1.893 . . . . 0.0 107.434 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -123.54 129.13 50.74 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -110.28 142.82 41.36 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.18 -164.77 30.61 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 107.729 -2.149 . . . . 0.0 107.729 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.9 p -70.84 165.11 23.9 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.24 -48.29 79.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.574 -0.704 . . . . 0.0 110.637 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.67 -26.21 66.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.489 0.716 . . . . 0.0 112.402 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.42 -56.15 4.39 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.091 0.86 . . . . 0.0 109.147 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.18 -36.47 68.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.257 1.023 . . . . 0.0 111.509 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -64.37 -47.0 80.91 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -64.27 -35.69 81.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.499 0.72 . . . . 0.0 110.676 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.1 -35.27 80.2 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.812 -0.555 . . . . 0.0 111.293 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.94 96.74 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -72.82 -30.43 64.04 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.014 0.526 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.69 -51.9 55.74 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 108.75 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.72 -45.1 90.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.131 1.373 . . . . 0.0 109.322 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.84 78.73 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.234 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.32 -36.88 79.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.437 1.017 . . . . 0.0 109.863 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -10.23 24.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.261 1.024 . . . . 0.0 111.782 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.3 mt -118.3 -8.98 10.5 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.584 1.954 . . . . 0.0 111.121 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -60.49 -25.92 66.42 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.198 1.399 . . . . 0.0 114.439 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -61.23 1.84 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.242 0.928 . . . . 0.0 109.585 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.01 -21.53 56.78 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -107.63 -10.24 15.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.902 0.774 . . . . 0.0 112.678 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.24 -177.34 42.63 Favored Glycine 0 C--N 1.332 0.353 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.58 164.79 7.09 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.6 p-90 -149.81 166.54 29.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.318 0.58 . . . . 0.0 111.832 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -140.13 159.94 41.07 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.978 2.111 . . . . 0.0 105.339 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.82 150.49 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.248 0.547 . . . . 0.0 111.059 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 14.2 t70 -127.38 132.33 50.18 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.023 2.529 . . . . 0.0 104.302 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.4 133.7 34.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 123.802 0.841 . . . . 0.0 109.318 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.43 164.95 26.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.895 1.278 . . . . 0.0 109.56 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 45.43 48.92 10.69 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.986 1.714 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 63.03 -0.9 0.55 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.941 2.097 . . . . 0.0 114.625 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.2 -9.99 6.97 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 127.678 2.561 . . . . 0.0 111.314 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -68.24 -12.85 61.68 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.939 1.869 . . . . 0.0 110.646 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.4 m -131.43 130.09 42.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.54 131.98 54.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 124.355 1.062 . . . . 0.0 108.67 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 82.3 m-20 -108.61 106.67 16.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mt -110.51 108.89 26.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.0 135.78 47.98 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -104.24 123.94 48.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.867 1.267 . . . . 0.0 108.863 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.82 -22.7 63.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 125.0 1.32 . . . . 0.0 112.606 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -142.79 117.17 9.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -118.22 178.29 4.49 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.86 169.87 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.792 1.237 . . . . 0.0 108.148 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -132.81 103.7 6.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mt -90.83 121.67 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -90.49 93.7 9.41 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.51 109.87 20.41 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -91.82 131.18 37.36 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.95 129.57 54.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.34 106.72 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -71.73 159.15 34.85 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.02 -10.59 57.76 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -87.1 36.8 0.74 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.284 1.434 . . . . 0.0 112.151 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.74 22.76 Favored Glycine 0 C--N 1.342 0.869 0 C-N-CA 125.497 1.522 . . . . 0.0 113.91 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p -155.62 160.46 40.46 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -133.2 167.45 20.34 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.532 0.682 . . . . 0.0 110.53 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.84 146.18 25.49 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.695 1.998 . . . . 0.0 106.034 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -134.04 129.08 35.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.693 -2.336 . . . . 0.0 104.693 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.9 129.44 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 126.493 1.917 . . . . 0.0 110.599 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -104.01 109.59 21.43 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -89.05 138.72 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -124.14 157.32 34.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.049 0.94 . . . . 0.0 110.367 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.15 -160.27 18.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 155.0 38.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.03 -47.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.419 0.688 . . . . 0.0 112.025 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.6 -43.26 97.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.564 0.746 . . . . 0.0 110.7 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.92 -65.66 0.65 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.634 1.174 . . . . 0.0 109.337 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.83 39.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.702 1.201 . . . . 0.0 112.683 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.0 m -66.35 -50.58 63.08 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -61.45 -35.86 78.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.317 0.647 . . . . 0.0 110.952 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.4 -41.57 76.24 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.867 0.867 . . . . 0.0 110.003 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.12 81.71 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -73.08 -29.01 62.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.627 0.771 . . . . 0.0 110.509 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.12 27.32 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.142 -0.974 . . . . 0.0 108.679 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.53 -41.22 89.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.111 0.564 . . . . 0.0 110.785 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.19 76.55 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.029 -0.419 . . . . 0.0 109.921 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -69.39 -36.05 76.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.056 0.543 . . . . 0.0 110.67 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -23.94 66.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.491 -0.755 . . . . 0.0 111.727 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.9 mt -101.97 -11.47 18.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.413 1.085 . . . . 0.0 111.923 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -58.03 -20.05 35.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 127.346 2.258 . . . . 0.0 114.452 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -59.43 -57.85 11.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.795 0.725 . . . . 0.0 109.544 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -90.87 -31.4 16.44 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.684 1.594 . . . . 0.0 113.406 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.46 -5.87 57.99 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.28 -175.57 42.62 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 123.86 0.743 . . . . 0.0 113.012 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -64.87 166.76 8.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.226 1.013 . . . . 0.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -147.51 168.23 22.45 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.456 1.102 . . . . 0.0 110.707 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 p -136.94 163.7 30.08 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.53 130.91 24.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 119.161 0.892 . . . . 0.0 112.568 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -100.14 111.18 23.47 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.883 -2.265 . . . . 0.0 104.883 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -82.25 125.81 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.87 173.58 11.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.999 0.92 . . . . 0.0 111.488 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 44.53 64.6 1.29 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.332 2.253 . . . . 0.0 112.343 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 59.28 15.81 4.54 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.505 1.522 . . . . 0.0 112.079 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.04 1.25 82.32 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.602 2.048 . . . . 0.0 110.886 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -75.5 -10.12 59.17 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.238 1.519 . . . . 0.0 111.013 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.4 m -132.68 126.36 32.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.05 131.16 57.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -110.08 91.31 3.6 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.84 115.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 125.291 1.437 . . . . 0.0 107.538 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.68 120.94 38.93 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -83.29 141.52 31.77 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.929 -1.487 . . . . 0.0 107.63 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 -13.84 20.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.709 1.204 . . . . 0.0 111.672 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.029 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -149.8 123.11 8.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -98.52 121.3 40.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 174.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.799 1.639 . . . . 0.0 109.275 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -131.95 134.02 45.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mt -121.22 124.71 72.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 97.48 10.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.47 1.508 . . . . 0.0 110.188 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.94 126.36 34.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.717 0.77 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -101.38 131.42 47.47 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.24 114.91 20.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.61 133.96 57.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.426 -2.065 . . . . 0.0 105.426 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -117.3 149.48 40.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.753 0.421 . . . . 0.0 110.814 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.42 -25.55 64.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.369 1.068 . . . . 0.0 110.332 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -53.18 -32.92 50.36 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.945 1.298 . . . . 0.0 111.431 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.71 -27.09 6.65 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.06 169.62 17.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.747 1.261 . . . . 0.0 110.439 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 p -137.43 159.98 40.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.025 2.13 . . . . 0.0 108.326 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -146.26 145.09 30.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.65 1.18 . . . . 0.0 108.296 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -118.2 139.35 51.42 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.301 1.04 . . . . 0.0 111.182 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.15 152.69 48.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.245 1.418 . . . . 0.0 108.61 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -143.99 109.8 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 127.033 2.133 . . . . 0.0 105.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.71 146.43 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -130.2 149.57 51.84 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 110.833 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.23 -161.21 23.56 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -62.15 151.0 37.08 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.84 -45.68 78.33 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.38 -44.23 84.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.006 0.922 . . . . 0.0 111.011 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -66.52 -59.32 3.75 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.506 1.123 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.41 -37.72 57.33 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.991 0.916 . . . . 0.0 111.989 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -60.7 -53.03 62.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.765 -0.584 . . . . 0.0 109.909 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -62.11 -35.69 79.47 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.522 1.055 . . . . 0.0 112.407 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.51 -41.74 94.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.607 0.64 . . . . 0.0 111.126 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.5 84.52 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 119.027 -0.511 . . . . 0.0 110.864 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -72.92 -31.2 64.47 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.253 0.933 . . . . 0.0 109.421 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.62 74.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 39' ' ' THR . 4.9 t80 -69.8 -45.63 67.49 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.83 -36.63 82.8 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.181 -0.949 . . . . 0.0 112.208 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 36' ' ' TYR . 15.4 t -68.89 -21.07 64.26 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.103 0.865 . . . . 0.0 111.499 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.96 -0.31 27.06 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.294 -0.879 . . . . 0.0 113.092 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -64.66 -38.43 90.97 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.725 1.148 . . . . 0.0 112.701 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -79.43 -28.95 41.69 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.393 1.452 . . . . 0.0 109.264 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.26 -26.26 52.3 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 125.007 1.323 . . . . 0.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -130.74 -4.79 4.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.36 178.91 34.12 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 119.437 1.017 . . . . 0.0 113.219 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 157.64 17.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 122.189 0.995 . . . . 0.0 109.966 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -134.39 168.55 18.71 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 123.211 1.481 . . . . 0.0 111.544 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.46 152.59 43.14 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 130.214 3.406 . . . . 0.0 105.188 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.27 138.44 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -120.66 141.14 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.076 1.351 . . . . 0.0 108.022 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.69 102.65 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 126.816 2.046 . . . . 0.0 106.428 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.07 172.73 6.98 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.6 1.56 . . . . 0.0 110.635 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t0 43.28 57.62 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 129.062 2.945 . . . . 0.0 113.593 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 61.24 3.05 0.67 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.589 1.156 . . . . 0.0 112.964 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.84 -10.02 10.39 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 128.617 3.008 . . . . 0.0 110.944 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.25 -7.28 59.54 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.866 1.833 . . . . 0.0 114.858 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.9 m -123.96 131.04 53.51 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.69 131.34 56.15 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -115.74 91.85 3.73 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.03 105.16 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.536 1.534 . . . . 0.0 108.017 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -111.52 123.84 51.04 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.723 1.209 . . . . 0.0 109.163 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -92.02 163.0 14.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.184 1.394 . . . . 0.0 110.693 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.52 -19.44 12.12 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.125 0 N-CA-C 107.612 -2.195 . . . . 0.0 107.612 -178.338 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 mtm . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.13 96.7 3.0 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -89.53 -174.15 4.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.36 166.15 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 121.302 -0.874 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -128.5 96.8 4.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.943 -2.244 . . . . 0.0 104.943 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 mt -89.95 118.54 35.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -91.02 126.3 36.06 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.91 111.22 23.23 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -91.22 119.52 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.65 123.73 50.96 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 122.223 1.011 . . . . 0.0 109.752 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.99 113.3 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 127.67 2.388 . . . . 0.0 108.005 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.42 157.13 19.9 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.383 0.611 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -14.42 61.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.51 0.724 . . . . 0.0 111.433 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -91.42 7.18 42.38 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.108 1.763 . . . . 0.0 111.369 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.02 -20.6 28.18 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.354 0.978 . . . . 0.0 113.669 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -64.34 161.83 16.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.62 1.71 . . . . 0.0 110.211 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -144.23 129.35 18.64 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 121.185 -0.947 . . . . 0.0 109.753 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -127.35 145.05 50.94 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -123.21 138.17 54.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.52 49.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -129.9 118.97 22.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -113.89 140.36 48.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.939 1.696 . . . . 0.0 107.893 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -124.43 152.0 43.82 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.977 1.711 . . . . 0.0 108.455 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.08 -155.0 21.43 Favored Glycine 0 C--O 1.237 0.309 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.14 161.67 13.08 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -57.92 -54.67 44.29 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.857 -0.527 . . . . 0.0 109.893 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.21 -31.03 69.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.78 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.17 -55.63 30.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.292 0.951 . . . . 0.0 108.507 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.89 87.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.572 0.749 . . . . 0.0 110.069 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.6 m -59.95 -54.18 49.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.307 0.643 . . . . 0.0 109.475 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -33.1 72.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 111.594 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.58 -39.81 92.04 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.769 0.713 . . . . 0.0 110.219 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.36 93.76 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.75 -0.594 . . . . 0.0 110.097 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.05 -29.06 62.69 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -55.31 17.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.65 -46.77 77.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.744 1.218 . . . . 0.0 110.193 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.48 78.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.558 -0.714 . . . . 0.0 111.628 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.78 -34.02 73.19 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.866 -1.146 . . . . 0.0 109.868 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -5.57 12.55 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.049 1.34 . . . . 0.0 112.175 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -122.13 -14.02 8.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.481 1.512 . . . . 0.0 111.396 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.15 -25.26 58.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.517 1.527 . . . . 0.0 113.6 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.46 -61.34 2.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 120.721 1.6 . . . . 0.0 111.035 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.92 -25.43 37.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -89.21 -18.13 27.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.435 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.81 -179.22 44.23 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.887 1.232 . . . . 0.0 111.755 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.16 164.73 4.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 122.669 1.223 . . . . 0.0 111.748 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -144.66 170.48 16.0 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.119 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -132.85 172.66 12.3 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.86 155.78 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.99 141.19 48.16 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.0 t -103.2 134.27 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 125.924 1.69 . . . . 0.0 109.585 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 57' ' ' THR . . . -140.0 170.7 15.38 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.624 1.569 . . . . 0.0 107.975 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.86 43.74 25.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.869 1.668 . . . . 0.0 110.215 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 60.04 2.44 0.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.15 1.78 . . . . 0.0 113.331 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.43 -13.13 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.779 2.133 . . . . 0.0 111.818 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -76.02 -3.42 35.68 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.641 1.72 . . . . 0.0 113.175 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.408 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 87.5 m -133.29 133.84 43.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.49 131.43 52.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.77 120.68 40.09 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 mt -118.77 130.82 73.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.547 1.139 . . . . 0.0 108.056 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -123.63 120.39 32.64 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.19 0.596 . . . . 0.0 109.752 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -81.8 117.7 22.3 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 -10.15 59.75 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-N 119.641 1.11 . . . . 0.0 112.381 -179.567 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -156.14 138.89 15.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.809 1.643 . . . . 0.0 107.28 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -116.11 130.63 56.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.16 174.38 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 108.28 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -139.23 111.2 7.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.419 1.888 . . . . 0.0 106.991 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.73 132.09 54.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -99.99 140.88 33.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.27 117.99 28.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -85.51 125.75 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 102.735 -3.061 . . . . 0.0 102.735 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 104.35 12.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -100.31 126.79 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -111.37 142.24 43.86 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.44 65.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.061 1.344 . . . . 0.0 111.63 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.71 -5.26 23.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.887 0.875 . . . . 0.0 110.816 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.76 8.86 69.28 Favored Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.755 -1.215 . . . . 0.0 111.784 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -97.92 161.56 13.68 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.32 1.048 . . . . 0.0 108.538 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.3 p -143.63 158.03 43.97 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.607 -0.683 . . . . 0.0 110.339 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -152.09 148.02 27.17 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.125 1.77 . . . . 0.0 106.755 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -134.38 138.86 45.18 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 119.68 -1.888 . . . . 0.0 107.418 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.67 159.01 43.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.015 0.926 . . . . 0.0 110.16 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -126.79 147.84 49.98 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -135.98 138.91 42.75 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -121.64 156.98 31.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.51 0.724 . . . . 0.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.55 -148.09 19.47 Favored Glycine 0 C--N 1.329 0.188 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -75.03 166.54 23.5 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.11 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.59 -47.1 87.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.004 1.322 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.22 -54.37 41.79 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.68 -30.49 63.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.112 0.565 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -71.23 -55.6 7.77 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.488 -1.382 . . . . 0.0 109.329 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -36.0 81.54 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -29.6 68.93 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.088 1.313 . . . . 0.0 109.408 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.8 81.81 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -73.25 -31.96 64.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.88 81.69 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.81 -45.79 89.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.16 0.984 . . . . 0.0 109.128 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.81 69.96 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.96 -1.088 . . . . 0.0 111.663 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -62.9 -36.68 84.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 125.069 1.348 . . . . 0.0 113.394 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -33.41 75.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.139 0.881 . . . . 0.0 110.63 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -85.29 -6.95 59.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.695 1.198 . . . . 0.0 112.804 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -65.28 -7.08 11.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.846 1.658 . . . . 0.0 114.011 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -60.99 2.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 120.446 1.476 . . . . 0.0 109.392 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.22 -16.41 59.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.627 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -111.73 -11.8 13.93 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.995 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.91 -167.37 54.68 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -57.63 162.18 3.19 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.696 1.236 . . . . 0.0 112.141 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -150.88 167.66 26.84 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.647 1.579 . . . . 0.0 107.862 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.5 p -141.52 154.3 45.41 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.33 122.48 51.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 118.105 0.412 . . . . 0.0 110.356 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.4 141.7 30.17 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -96.53 121.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.971 0.908 . . . . 0.0 109.689 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 172.87 9.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.003 1.321 . . . . 0.0 109.332 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 t0 44.24 59.38 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 127.114 2.166 . . . . 0.0 111.964 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 54.48 12.03 0.49 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.78 13.7 13.69 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 118.279 -1.29 . . . . 0.0 112.031 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -111.47 -6.44 14.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.847 1.824 . . . . 0.0 112.205 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.6 m -129.61 107.22 9.28 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.383 1.073 . . . . 0.0 108.475 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.26 124.45 41.37 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -96.42 91.81 6.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.51 114.42 28.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 119.116 0.871 . . . . 0.0 108.654 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -127.57 132.77 49.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -94.13 154.17 17.73 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.742 1.617 . . . . 0.0 110.333 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.33 -8.05 13.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 O-C-N 121.192 -0.942 . . . . 0.0 113.775 179.169 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.97 81.56 8.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.438 1.017 . . . . 0.0 108.995 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -127.83 165.41 20.19 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.62 0.768 . . . . 0.0 109.894 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.73 173.64 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 128.863 2.865 . . . . 0.0 107.214 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -134.5 136.76 43.36 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.06 121.84 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -91.53 132.86 35.99 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.36 131.23 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.63 0.772 . . . . 0.0 109.846 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -104.15 118.93 37.83 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.28 111.32 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.912 1.285 . . . . 0.0 109.168 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.13 129.66 59.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 124.962 1.305 . . . . 0.0 107.56 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -105.02 158.45 16.54 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 123.872 0.869 . . . . 0.0 108.834 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -14.86 63.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.955 0.502 . . . . 0.0 110.188 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -74.22 0.93 12.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.054 1.741 . . . . 0.0 110.62 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.54 -41.93 2.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -59.55 160.17 7.41 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.673 1.189 . . . . 0.0 112.746 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.2 p -136.0 172.21 13.35 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 110.835 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -152.72 146.96 25.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.147 2.179 . . . . 0.0 107.131 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -125.26 138.85 54.1 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.67 163.1 27.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.199 1.399 . . . . 0.0 109.113 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -137.6 109.89 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.485 1.914 . . . . 0.0 106.427 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.78 143.76 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.149 1.38 . . . . 0.0 108.293 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -131.65 148.23 52.58 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.44 1.496 . . . . 0.0 110.731 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.18 -145.7 17.04 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.9 p -89.97 -176.56 4.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 117.756 0.778 . . . . 0.0 109.286 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -56.45 -63.55 1.16 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.364 1.066 . . . . 0.0 111.987 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.65 -34.87 74.93 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -58.28 -67.11 0.38 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.517 1.527 . . . . 0.0 111.592 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.22 95.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 124.515 1.135 . . . . 0.0 112.018 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 m -63.18 -45.48 91.61 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.164 -0.335 . . . . 0.0 110.201 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -67.5 -35.15 78.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.57 -40.15 92.47 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.15 82.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.345 0.52 . . . . 0.0 110.17 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.47 -31.16 63.62 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.471 0.578 . . . . 0.0 110.127 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.68 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 120.945 -1.097 . . . . 0.0 108.937 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -58.27 -46.06 86.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.754 2.022 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.12 -36.31 66.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.903 0.319 . . . . 0.0 110.164 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.78 -30.39 71.42 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.858 -1.151 . . . . 0.0 111.793 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -16.0 63.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.717 1.207 . . . . 0.0 112.162 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.46 -1.62 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 0.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -80.87 56.67 2.8 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 127.374 2.269 . . . . 0.0 110.314 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -152.28 -57.93 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.45 -20.78 53.94 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.725 -0.61 . . . . 0.0 111.941 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -105.9 -39.04 6.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.45 -179.35 16.45 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.38 159.72 23.5 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.434 0.635 . . . . 0.0 109.427 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -139.44 162.44 35.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.663 0.785 . . . . 0.0 110.039 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -127.19 163.45 23.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.18 157.23 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.274 0.559 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 15.0 t70 -138.67 121.23 16.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.18 130.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.11 174.13 10.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.24 1.016 . . . . 0.0 110.608 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.92 64.25 1.53 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 127.534 2.334 . . . . 0.0 111.449 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 58.5 4.25 0.34 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.433 1.493 . . . . 0.0 113.815 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.29 0.19 29.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 125.811 1.672 . . . . 0.0 112.23 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -87.74 -9.3 54.43 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.598 1.699 . . . . 0.0 112.559 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.6 m -123.41 114.79 20.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -105.88 129.07 54.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 85.7 m-20 -110.9 110.83 21.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.47 127.18 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 120.526 1.512 . . . . 0.0 108.056 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -131.11 136.41 48.35 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.99 143.41 27.88 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.203 1.001 . . . . 0.0 109.143 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.38 -65.04 1.06 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.876 0.87 . . . . 0.0 109.189 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.18 160.32 35.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -166.74 -174.6 2.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.236 1.815 . . . . 0.0 110.018 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -131.38 175.88 10.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 C-N-CA 126.76 2.024 . . . . 0.0 111.131 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.47 136.61 52.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.574 1.549 . . . . 0.0 108.572 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mt -125.41 125.27 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.916 1.286 . . . . 0.0 108.192 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -96.42 93.93 7.12 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.649 1.18 . . . . 0.0 109.631 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.71 109.75 19.93 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -84.3 132.06 34.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 127.047 2.139 . . . . 0.0 105.961 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -116.67 114.67 24.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.153 0.981 . . . . 0.0 110.216 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.94 100.46 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.16 159.13 26.12 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.88 -0.513 . . . . 0.0 111.515 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.28 -26.75 63.95 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.53 9.16 1.47 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.825 0.85 . . . . 0.0 111.726 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.18 18.6 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.208 1.861 . . . . 0.0 113.712 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -57.43 153.0 13.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.667 1.587 . . . . 0.0 111.24 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -127.83 139.37 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.727 1.611 . . . . 0.0 109.78 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -152.55 146.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.103 -0.998 . . . . 0.0 109.66 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 m -132.09 138.75 48.25 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.093 -1.076 . . . . 0.0 108.093 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.88 107.95 4.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.582 1.953 . . . . 0.0 108.158 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.75 109.89 21.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -88.13 143.7 26.91 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 124.695 1.198 . . . . 0.0 109.24 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -125.29 147.45 49.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.371 1.068 . . . . 0.0 110.597 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.38 -162.69 22.05 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.297 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 151.65 17.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -55.7 -46.81 77.58 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.091 -0.381 . . . . 0.0 111.796 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -63.5 -46.42 86.18 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.86 -57.11 12.92 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.19 99.3 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.385 0.274 . . . . 0.0 111.607 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.7 m -63.07 -40.65 98.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -65.95 -36.93 84.7 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.199 1.0 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -73.28 -31.38 64.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.67 -0.644 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.51 96.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -73.1 -32.6 65.07 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.845 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.63 68.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.161 0.437 . . . . 0.0 109.842 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -71.3 -40.64 70.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.628 -0.67 . . . . 0.0 109.31 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.44 72.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.582 -0.699 . . . . 0.0 109.145 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.74 -37.14 85.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.865 1.266 . . . . 0.0 112.758 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.97 -14.69 63.19 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.646 1.112 . . . . 0.0 111.106 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.72 -10.81 14.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.483 1.113 . . . . 0.0 112.097 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.54 -44.23 76.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.757 1.223 . . . . 0.0 111.719 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -59.11 -23.14 61.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -117.92 -2.83 11.24 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.808 1.186 . . . . 0.0 114.021 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -127.34 -10.52 5.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.84 0.856 . . . . 0.0 113.037 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.11 38.6 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 125.425 1.488 . . . . 0.0 112.868 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.36 166.69 16.11 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -142.73 160.6 40.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.746 0.818 . . . . 0.0 111.185 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.29 147.97 49.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -121.56 146.47 26.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 123.315 0.646 . . . . 0.0 111.752 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -115.51 124.84 52.09 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.836 -1.912 . . . . 0.0 105.836 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 109.78 17.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.11 162.31 18.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.715 1.206 . . . . 0.0 108.866 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.36 48.23 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 112.436 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.5 24.12 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.427 -0.795 . . . . 0.0 112.122 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.57 -9.05 60.44 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.863 2.173 . . . . 0.0 112.291 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.12 -7.14 50.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.225 2.012 . . . . 0.0 111.033 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.6 m -138.48 132.85 31.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -126.42 123.56 38.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.17 94.44 5.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.9 mt -91.71 112.75 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.83 1.252 . . . . 0.0 107.745 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 135.8 54.47 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.11 147.82 25.48 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.67 1.188 . . . . 0.0 112.035 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.47 -7.76 21.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.657 1.583 . . . . 0.0 112.479 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -178.578 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttm . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -131.75 77.12 1.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -113.71 161.58 17.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.453 1.501 . . . . 0.0 109.202 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.09 167.27 26.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.552 1.541 . . . . 0.0 107.495 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.3 m -126.82 108.26 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.76 120.81 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -91.51 134.59 34.52 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.3 136.6 52.99 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.628 1.571 . . . . 0.0 107.649 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -117.48 132.29 56.58 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.789 2.036 . . . . 0.0 107.412 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -117.51 126.34 52.42 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.249 1.42 . . . . 0.0 107.368 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.68 107.81 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -88.01 158.74 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.136 0.974 . . . . 0.0 112.11 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.645 1.178 . . . . 0.0 108.749 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.21 2.95 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.898 2.079 . . . . 0.0 110.807 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.42 -4.49 49.37 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 120.897 -1.127 . . . . 0.0 112.467 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -81.64 160.28 23.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.512 1.525 . . . . 0.0 108.677 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -134.56 156.16 49.16 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -152.28 146.0 25.05 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -130.96 134.78 47.04 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 163.35 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.158 1.383 . . . . 0.0 108.664 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -141.5 132.29 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.5 127.79 45.89 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -111.02 158.28 18.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.935 0.894 . . . . 0.0 109.204 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.62 -149.73 19.11 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 107.489 -2.244 . . . . 0.0 107.489 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 p -77.23 156.71 31.29 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.6 -53.23 32.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.707 1.203 . . . . 0.0 113.639 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.77 -39.02 87.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.009 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -59.43 5.43 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.751 0.82 . . . . 0.0 109.941 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.1 65.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.394 0.678 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -68.38 -43.46 77.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.996 -0.44 . . . . 0.0 110.34 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -35.74 81.42 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.092 -1.005 . . . . 0.0 111.61 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.27 -40.27 95.64 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.908 0.883 . . . . 0.0 109.466 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.2 93.34 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.39 -28.75 62.19 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.845 -0.534 . . . . 0.0 110.785 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.28 21.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.995 1.318 . . . . 0.0 108.755 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.24 -34.87 75.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.7 65.79 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.622 -1.299 . . . . 0.0 110.458 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.47 -36.5 82.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.76 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -68.0 -39.1 83.29 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.459 1.027 . . . . 0.0 109.039 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.81 -26.3 66.0 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.869 0.868 . . . . 0.0 111.05 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.11 -22.84 61.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -60.06 3.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.718 0.69 . . . . 0.0 112.301 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.05 -23.17 21.52 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.96 -20.43 21.38 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.635 0.652 . . . . 0.0 112.602 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.88 -170.77 32.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.46 165.7 3.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.196 0.998 . . . . 0.0 111.298 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -148.6 160.94 42.63 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.931 1.292 . . . . 0.0 109.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 p -124.48 173.3 8.54 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.318 1.847 . . . . 0.0 107.639 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.34 132.29 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.91 127.45 41.95 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.7 t -100.21 117.73 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.55 170.76 15.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.137 1.775 . . . . 0.0 107.699 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.79 34.63 10.47 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.96 1.704 . . . . 0.0 112.292 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 58.39 28.72 17.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.241 1.416 . . . . 0.0 112.173 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.85 69.61 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.037 -1.424 . . . . 0.0 114.339 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.45 -9.2 59.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.531 2.166 . . . . 0.0 113.387 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 m -132.78 113.29 12.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.1 mt -100.6 132.52 45.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -124.73 100.19 6.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -98.54 136.83 27.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -131.88 125.76 32.53 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -81.32 133.52 35.44 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.351 0.596 . . . . 0.0 111.393 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.46 -21.65 66.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.71 1.604 . . . . 0.0 112.564 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.677 0 C-N-CA 125.313 1.435 . . . . 0.0 110.924 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.2 141.5 17.51 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.997 0.903 . . . . 0.0 109.308 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -101.34 134.88 43.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 128.034 2.534 . . . . 0.0 104.528 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.95 175.14 11.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 125.509 1.524 . . . . 0.0 109.234 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.07 110.49 12.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -96.74 117.77 41.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -91.0 108.13 19.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.05 111.57 23.55 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.382 1.073 . . . . 0.0 109.616 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -87.35 131.58 34.23 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -122.18 126.59 48.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.86 119.43 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -90.06 154.67 19.62 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.45 65.81 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.445 0.298 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.16 -3.0 23.86 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.608 0.718 . . . . 0.0 109.91 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.9 -10.48 74.42 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 127.881 2.658 . . . . 0.0 114.717 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -64.83 151.15 46.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.52 1.128 . . . . 0.0 111.33 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -117.48 143.26 46.23 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.998 0.919 . . . . 0.0 110.766 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -149.96 146.74 27.2 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.252 1.821 . . . . 0.0 109.796 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.67 139.99 52.37 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.469 0.707 . . . . 0.0 109.783 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 154.61 43.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.5 2.32 . . . . 0.0 107.279 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -135.82 109.77 8.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -97.48 129.81 44.63 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -110.85 153.77 24.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.691 1.596 . . . . 0.0 108.895 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.35 -155.9 20.63 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -70.6 161.55 30.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.16 -50.46 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.658 0.783 . . . . 0.0 110.552 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -59.73 -48.68 80.71 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.08 0.952 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -55.05 -57.16 12.84 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 124.887 1.275 . . . . 0.0 110.012 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.91 71.06 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.545 1.138 . . . . 0.0 111.302 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -68.37 -47.68 66.75 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -61.31 -35.63 77.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.907 0.483 . . . . 0.0 110.29 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.19 -41.3 98.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 118.332 0.514 . . . . 0.0 110.168 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.14 93.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.981 0.355 . . . . 0.0 110.8 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.69 -31.43 63.43 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.835 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.23 59.74 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.823 1.249 . . . . 0.0 109.182 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.8 -47.2 86.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.114 1.366 . . . . 0.0 109.323 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.24 -30.38 70.41 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.427 -0.796 . . . . 0.0 111.28 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.04 -36.39 83.83 Favored 'General case' 0 C--O 1.228 -0.053 0 CA-C-N 118.325 0.511 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -22.97 64.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.874 0.307 . . . . 0.0 111.277 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.03 -12.76 24.43 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 124.083 0.953 . . . . 0.0 112.013 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.74 -9.08 3.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.038 2.135 . . . . 0.0 113.608 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -78.56 -73.53 0.32 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.98 -12.94 61.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.395 0.998 . . . . 0.0 113.316 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -105.97 -9.6 17.0 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.914 0.779 . . . . 0.0 111.467 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.04 49.99 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.16 161.7 5.08 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 122.564 1.173 . . . . 0.0 110.479 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -134.88 164.69 27.02 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.765 0.793 . . . . 0.0 111.274 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.3 p -126.05 157.72 37.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.74 163.47 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 118.722 0.692 . . . . 0.0 111.178 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.41 141.88 32.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.202 2.201 . . . . 0.0 106.865 178.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.08 133.39 50.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.109 0.964 . . . . 0.0 108.476 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.26 166.75 23.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 46.4 45.13 13.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.257 1.423 . . . . 0.0 111.866 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 52.18 39.23 26.4 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.471 1.908 . . . . 0.0 111.58 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.92 72.43 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-O 118.217 -1.324 . . . . 0.0 113.351 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.02 -13.22 61.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.965 1.883 . . . . 0.0 110.08 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -129.28 123.14 31.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.18 133.33 56.14 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -118.95 97.2 5.58 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.484 0.713 . . . . 0.0 109.756 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.95 119.68 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 108.579 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 117.21 30.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.409 1.484 . . . . 0.0 107.597 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -79.91 136.08 36.57 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.812 0.845 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.16 -20.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.431 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.367 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -152.2 136.94 17.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -106.21 169.85 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.843 1.257 . . . . 0.0 109.543 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.88 170.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 126.283 1.833 . . . . 0.0 107.16 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -132.26 140.2 48.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.63 117.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -92.73 111.47 23.08 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.81 112.02 24.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.074 0.94 . . . . 0.0 108.636 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -85.1 129.34 34.82 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 119.18 32.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -114.54 100.63 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 125.492 1.517 . . . . 0.0 108.503 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -71.31 154.19 41.8 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.715 0.806 . . . . 0.0 109.731 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.05 61.89 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.601 1.161 . . . . 0.0 109.71 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -62.33 -22.26 65.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.204 1.402 . . . . 0.0 113.139 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.1 -21.76 10.04 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.702 1.144 . . . . 0.0 113.159 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 t -70.13 177.14 3.38 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 0.0 110.423 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.06 147.33 32.46 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 127.001 2.12 . . . . 0.0 106.821 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -151.59 145.89 25.44 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.42 135.63 48.92 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.03 160.76 30.93 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.525 1.53 . . . . 0.0 108.685 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.48 149.14 43.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -137.13 129.36 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -117.34 146.26 43.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.757 1.223 . . . . 0.0 108.874 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.88 -156.35 24.25 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.52 154.69 40.83 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.62 -42.18 82.83 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -60.24 -24.33 64.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.662 1.185 . . . . 0.0 111.971 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -90.36 -55.85 3.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.92 69.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.391 0.676 . . . . 0.0 111.373 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m -65.05 -45.48 85.2 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.414 -0.804 . . . . 0.0 109.428 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -63.45 -35.93 82.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.251 0.62 . . . . 0.0 111.121 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.98 -38.74 69.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.216 0.607 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.39 80.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.298 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.29 -32.28 64.55 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.23 82.72 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.907 -1.12 . . . . 0.0 111.134 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -62.39 -50.71 70.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.211 1.004 . . . . 0.0 110.15 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -31.25 71.65 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.842 -0.536 . . . . 0.0 112.041 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -36.74 84.72 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.935 -0.478 . . . . 0.0 112.203 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -5.58 40.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.568 -0.708 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -107.55 -24.53 11.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.217 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -53.21 -34.04 55.33 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.891 2.477 . . . . 0.0 114.247 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.7 -33.05 67.98 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.43 -24.68 9.17 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.207 0.912 . . . . 0.0 111.706 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -84.26 -19.91 33.09 Favored 'General case' 0 C--O 1.226 -0.143 0 O-C-N 121.28 -0.887 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.04 -171.73 35.95 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.37 160.3 16.35 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 122.473 1.13 . . . . 0.0 109.897 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -134.49 168.8 18.29 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.188 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -133.46 168.61 18.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 127.016 2.126 . . . . 0.0 105.654 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -141.96 158.06 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.143 -0.973 . . . . 0.0 110.397 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -141.75 118.96 11.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 p -82.58 133.96 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.568 1.547 . . . . 0.0 109.726 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.56 162.54 34.83 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.178 1.391 . . . . 0.0 108.772 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' GLY . 73.1 m-20 51.55 48.96 21.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.516 1.126 . . . . 0.0 109.782 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 66.79 -9.73 0.33 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.246 1.819 . . . . 0.0 112.0 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 127.82 -0.84 6.78 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 129.073 3.225 . . . . 0.0 111.622 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -67.55 -16.13 64.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.058 1.429 . . . . 0.0 110.004 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -129.56 130.89 46.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -123.88 132.51 53.76 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.641 1.176 . . . . 0.0 109.215 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -107.65 111.21 23.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mt -116.92 125.0 73.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -126.11 136.71 53.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.069 1.347 . . . . 0.0 107.947 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -103.28 132.12 49.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.481 1.113 . . . . 0.0 109.448 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.5 -59.2 2.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.873 0.869 . . . . 0.0 112.387 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 126.736 2.112 . . . . 0.0 108.786 -179.345 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -147.94 108.57 4.16 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.379 1.872 . . . . 0.0 106.804 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -153.54 175.43 13.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 111.085 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 m -136.23 175.28 10.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 127.031 2.132 . . . . 0.0 109.274 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 m -130.7 140.49 50.36 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.547 1.539 . . . . 0.0 106.947 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -124.84 120.09 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HZ3' HG23 ' A' ' 19' ' ' THR . 11.2 tmtt? -91.16 96.12 10.42 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.328 1.451 . . . . 0.0 107.472 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.25 112.38 22.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.822 0.82 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.48 131.14 34.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 103.652 -2.722 . . . . 0.0 103.652 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mt -121.95 124.64 44.51 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.07 100.52 7.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -76.69 152.99 35.54 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.992 1.317 . . . . 0.0 111.623 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.47 74.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.685 1.594 . . . . 0.0 110.9 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.07 -19.92 55.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.264 1.025 . . . . 0.0 111.104 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.3 -10.91 43.47 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.214 1.388 . . . . 0.0 110.092 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -73.98 160.41 31.37 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 118.009 0.905 . . . . 0.0 108.954 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 p -128.64 157.91 40.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -151.94 147.07 26.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.079 1.352 . . . . 0.0 107.671 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.515 HG23 ' HZ3' ' A' ' 7' ' ' LYS . 18.9 m -129.99 133.73 46.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.22 114.81 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.325 1.45 . . . . 0.0 108.192 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -97.24 109.62 22.34 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -92.92 136.66 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -127.41 154.85 44.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.96 1.304 . . . . 0.0 111.264 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.84 -152.24 17.99 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 125.291 1.424 . . . . 0.0 109.69 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 p -67.95 159.13 31.23 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.511 -0.994 . . . . 0.0 109.407 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -53.56 -51.32 63.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.28 1.032 . . . . 0.0 109.966 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.52 -54.54 35.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.808 1.643 . . . . 0.0 111.602 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.74 -63.45 1.29 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.104 1.762 . . . . 0.0 111.026 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.91 68.59 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.451 0.7 . . . . 0.0 112.645 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -68.29 -49.59 59.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.762 -0.586 . . . . 0.0 109.492 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -65.61 -35.34 80.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.34 0.518 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.03 -41.19 91.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.313 1.045 . . . . 0.0 110.818 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.22 91.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.456 0.302 . . . . 0.0 110.283 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -73.07 -32.48 65.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.87 66.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.065 0.946 . . . . 0.0 109.977 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -71.85 -44.22 64.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.01 76.63 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.581 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -35.47 77.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 111.403 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -9.15 52.19 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 110.332 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.2 mt -106.63 -13.75 15.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.882 1.673 . . . . 0.0 111.144 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.11 -28.14 66.25 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.26 1.824 . . . . 0.0 115.869 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.35 -41.65 89.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.182 1.355 . . . . 0.0 113.65 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.15 -22.51 12.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.093 0.86 . . . . 0.0 113.138 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -93.6 -20.64 20.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 -170.38 42.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -66.34 169.45 7.3 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.41 1.1 . . . . 0.0 111.525 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -151.38 173.42 14.54 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.581 1.553 . . . . 0.0 109.486 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 p -132.29 167.41 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.5 132.56 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 122.087 -0.383 . . . . 0.0 111.631 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.97 141.18 37.79 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -104.27 112.29 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.87 174.03 8.22 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.981 1.313 . . . . 0.0 111.116 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 45.63 57.21 5.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.604 1.962 . . . . 0.0 110.019 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 57.87 1.42 0.14 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.62 14.25 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.074 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -108.9 -8.39 15.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.236 1.518 . . . . 0.0 112.56 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.6 m -126.27 103.19 7.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 120.076 1.307 . . . . 0.0 107.755 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.6 mt -93.82 131.58 39.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.72 95.59 5.41 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.7 mt -97.25 129.85 46.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.22 124.85 31.46 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.57 127.61 33.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.352 0.661 . . . . 0.0 110.256 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.05 -59.05 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.73 1.612 . . . . 0.0 108.666 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 122.917 0.294 . . . . 0.0 113.447 179.469 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 ttp . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.18 111.64 2.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -132.52 173.18 11.58 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.998 1.319 . . . . 0.0 109.691 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.79 172.59 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 127.102 2.161 . . . . 0.0 107.323 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -126.63 133.49 50.99 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.08 132.65 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -110.9 139.57 46.12 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.43 119.16 31.28 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.691 0.797 . . . . 0.0 110.173 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -84.77 131.07 34.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -111.98 115.01 28.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.69 105.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -85.49 159.17 19.99 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.109 0.564 . . . . 0.0 112.375 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.62 68.64 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -71.63 6.82 1.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.466 1.906 . . . . 0.0 111.905 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.57 -15.46 7.53 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 120.07 -1.644 . . . . 0.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 p -72.06 159.54 34.01 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.666 1.586 . . . . 0.0 109.691 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 p -133.24 155.49 49.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.774 0.83 . . . . 0.0 109.778 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -152.26 146.93 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.71 2.004 . . . . 0.0 106.176 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -122.12 137.96 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.3 150.41 43.59 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -137.39 144.77 42.62 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.73 147.15 40.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.691 1.596 . . . . 0.0 108.169 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -129.54 148.92 51.49 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.447 2.299 . . . . 0.0 107.198 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.58 -155.83 24.97 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.4 p -69.57 162.66 27.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.27 -48.57 80.05 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.16 -51.22 70.53 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.837 1.255 . . . . 0.0 111.267 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -62.87 -58.99 5.5 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.576 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -42.19 62.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.745 0.702 . . . . 0.0 111.071 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -61.77 -48.94 78.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -63.01 -35.13 79.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.21 0.604 . . . . 0.0 112.187 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.66 -41.75 99.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.398 0.999 . . . . 0.0 109.905 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.26 77.36 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.125 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -74.28 -31.33 62.49 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.163 -0.336 . . . . 0.0 110.33 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.9 89.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -64.99 -48.79 72.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.074 0.949 . . . . 0.0 108.482 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.39 70.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 111.677 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -36.35 82.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.152 1.381 . . . . 0.0 112.111 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -34.65 78.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.689 -0.632 . . . . 0.0 110.357 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -83.33 -15.22 50.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.865 1.266 . . . . 0.0 112.819 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -57.71 -27.75 63.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.502 1.521 . . . . 0.0 113.804 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.23 -61.15 1.98 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.736 1.153 . . . . 0.0 111.478 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.27 -17.85 47.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -104.96 -14.26 15.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.174 0.897 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.98 -164.83 32.69 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 119.266 0.939 . . . . 0.0 114.46 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.93 162.62 6.72 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 122.092 0.948 . . . . 0.0 110.236 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -147.02 154.25 40.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.475 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.4 p -141.98 118.73 11.09 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 127.319 2.248 . . . . 0.0 108.16 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -94.69 143.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.73 141.61 45.13 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.87 126.02 46.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 109.62 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.85 152.46 47.84 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 50.87 42.06 27.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.869 1.268 . . . . 0.0 110.358 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 65.97 -1.41 1.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.714 2.006 . . . . 0.0 113.062 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.0 5.52 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 126.333 1.921 . . . . 0.0 110.463 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -62.28 -12.88 23.13 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 119.727 1.763 . . . . 0.0 111.811 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -129.27 101.88 6.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -96.55 112.13 23.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -94.45 91.06 6.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.0 mt -88.78 101.91 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.804 1.641 . . . . 0.0 109.295 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -103.34 137.1 41.92 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.625 1.97 . . . . 0.0 112.417 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.47 138.46 34.87 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.638 1.175 . . . . 0.0 111.873 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.45 -16.09 33.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.246 0.618 . . . . 0.0 111.367 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -178.396 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.018 -0.515 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -143.63 123.56 13.53 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -142.93 150.37 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.254 1.022 . . . . 0.0 109.719 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.2 m -138.34 162.93 29.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 124.773 1.229 . . . . 0.0 108.213 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -108.32 118.62 37.24 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.401 1.08 . . . . 0.0 108.36 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -106.02 121.22 58.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -91.37 135.04 34.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.78 118.63 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -97.87 116.2 29.61 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -115.97 103.47 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.898 0.879 . . . . 0.0 109.929 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.81 125.83 45.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.06 151.48 19.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.6 50.79 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -90.35 16.13 9.32 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.967 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.98 -5.94 80.92 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.575 1.083 . . . . 0.0 113.633 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -99.64 175.78 5.7 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 118.748 1.274 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -145.89 172.4 13.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.392 1.077 . . . . 0.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.97 137.21 18.45 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -134.21 138.54 45.17 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.29 162.08 36.39 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.649 0.78 . . . . 0.0 111.689 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.57 109.16 7.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -102.47 144.47 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.28 167.42 16.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 123.444 0.697 . . . . 0.0 111.526 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.02 -158.34 20.93 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 p -64.17 158.79 22.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -50.46 -51.26 48.55 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.279 1.032 . . . . 0.0 111.938 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.23 -35.29 80.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -69.41 -52.92 22.28 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 119.244 0.929 . . . . 0.0 110.413 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -26.14 68.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 118.464 -1.294 . . . . 0.0 110.727 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -66.21 -54.61 23.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -62.4 -35.43 79.17 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.27 -44.71 96.79 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 119.073 0.851 . . . . 0.0 110.473 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.19 90.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.67 -30.85 63.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.421 -0.8 . . . . 0.0 111.601 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.31 78.29 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.594 1.558 . . . . 0.0 109.361 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.2 -45.82 68.98 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.124 0.969 . . . . 0.0 109.842 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -31.86 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.41 -0.806 . . . . 0.0 110.89 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.78 -36.89 83.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.842 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -76.84 7.74 4.45 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.399 1.0 . . . . 0.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.95 -10.22 7.7 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.39 1.876 . . . . 0.0 109.996 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -64.34 -20.91 66.41 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.852 1.661 . . . . 0.0 114.84 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -84.27 -35.7 23.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.399 0.999 . . . . 0.0 111.672 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -92.21 -16.85 25.66 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.477 0.711 . . . . 0.0 112.586 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -117.23 -11.58 10.63 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.69 -173.05 39.73 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 121.812 0.673 . . . . 0.0 112.559 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -64.75 162.84 15.18 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.3 p-90 -141.58 158.2 44.13 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.804 0.812 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -113.12 158.14 20.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.1 147.8 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.48 136.24 46.56 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.54 105.8 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.519 1.528 . . . . 0.0 107.249 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.0 -178.29 4.13 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.786 1.235 . . . . 0.0 109.436 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 42.2 59.22 2.71 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.337 2.255 . . . . 0.0 111.718 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 53.0 17.06 0.82 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.41 7.64 48.49 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 120.916 -1.115 . . . . 0.0 111.938 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.83 -10.44 19.09 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.977 1.388 . . . . 0.0 112.585 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.2 m -131.67 119.34 21.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 120.483 1.492 . . . . 0.0 108.506 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -104.8 131.08 52.7 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.085 1.354 . . . . 0.0 107.899 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -107.17 97.46 7.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.82 132.38 45.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -131.44 130.3 42.34 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 121.072 -1.017 . . . . 0.0 109.587 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.35 141.71 29.0 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 -17.98 15.06 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.236 0.393 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.43 174.86 4.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 111.187 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 m -129.11 133.68 47.75 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -118.79 132.6 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -110.47 109.52 19.91 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.451 1.1 . . . . 0.0 109.476 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.46 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -106.75 121.47 44.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 103.148 -2.908 . . . . 0.0 103.148 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.17 121.86 46.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.97 109.89 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 126.407 1.883 . . . . 0.0 106.873 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -83.33 155.45 23.55 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.199 0.6 . . . . 0.0 111.811 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -24.45 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.496 0.318 . . . . 0.0 110.764 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -66.73 -27.59 67.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 109.456 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.34 -12.26 19.16 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 126.023 1.773 . . . . 0.0 112.983 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.03 170.17 13.41 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 118.641 1.221 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.86 160.11 39.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.779 0.832 . . . . 0.0 109.352 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.05 145.94 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 126.106 1.762 . . . . 0.0 107.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.81 138.47 54.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.87 117.3 12.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 121.668 -0.645 . . . . 0.0 109.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -96.49 133.34 41.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -122.04 144.06 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.921 1.688 . . . . 0.0 106.642 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -127.6 148.83 50.36 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.245 1.018 . . . . 0.0 108.613 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.35 -161.4 26.06 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -67.32 163.99 19.44 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.647 -0.913 . . . . 0.0 109.784 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -53.62 -40.66 65.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.414 1.486 . . . . 0.0 110.416 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -73.52 -46.28 48.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.237 1.415 . . . . 0.0 111.977 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -54.62 36.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.402 1.081 . . . . 0.0 111.585 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.24 66.95 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.53 0.604 . . . . 0.0 111.388 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -68.22 -44.62 75.33 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.679 0.672 . . . . 0.0 109.644 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.9 t -60.19 -36.17 77.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.299 0.64 . . . . 0.0 110.979 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.98 -37.65 66.95 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.714 0.806 . . . . 0.0 110.605 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.03 93.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.99 -29.41 63.01 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.24 -0.41 . . . . 0.0 109.917 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.3 70.79 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 119.475 1.034 . . . . 0.0 109.271 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.77 -46.82 87.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.36 90.83 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.588 -0.695 . . . . 0.0 111.039 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.51 -37.36 87.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 117.79 -1.1 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -37.47 77.65 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.32 -17.05 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.965 0.506 . . . . 0.0 112.263 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -23.22 61.84 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.785 0.834 . . . . 0.0 113.187 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.58 -39.64 67.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.643 1.11 . . . . 0.0 112.51 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.52 -3.13 25.71 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -125.66 -9.71 6.77 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.181 0.992 . . . . 0.0 112.622 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.96 -178.02 53.7 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 121.836 0.687 . . . . 0.0 113.149 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.5 153.47 15.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.608 -0.796 . . . . 0.0 109.802 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -137.6 167.56 21.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.434 1.112 . . . . 0.0 111.426 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -123.3 158.42 31.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.09 144.97 25.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.92 141.79 51.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.54 1.136 . . . . 0.0 110.459 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.49 120.03 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.339 1.456 . . . . 0.0 109.367 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.57 164.27 26.2 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.781 1.232 . . . . 0.0 108.185 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.24 53.21 8.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.558 1.543 . . . . 0.0 110.632 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 57.07 18.72 4.21 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.722 1.609 . . . . 0.0 114.663 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.77 -13.73 45.96 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.507 1.527 . . . . 0.0 112.501 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.43 -12.96 61.32 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.316 1.058 . . . . 0.0 111.513 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.8 m -127.79 129.09 46.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -122.74 131.52 53.82 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.693 0.797 . . . . 0.0 108.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.92 120.83 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -123.34 122.23 64.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -121.14 127.64 51.76 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -85.49 125.78 33.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.28 58.57 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.245 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.66 1.6 . . . . 0.0 110.68 -179.76 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 . . . . . 0 CA--C 1.534 0.362 0 CA-C-O 121.216 0.532 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.62 173.78 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 128.207 2.603 . . . . 0.0 108.13 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -135.41 100.74 4.6 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.029 0.932 . . . . 0.0 109.221 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.0 mt -92.51 131.99 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -102.32 138.11 39.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 126.984 2.114 . . . . 0.0 109.16 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.71 119.67 32.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.792 1.237 . . . . 0.0 109.716 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -98.61 116.77 31.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.76 104.36 14.65 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.301 1.44 . . . . 0.0 108.383 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.46 103.01 14.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -77.62 157.7 30.12 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.388 -0.82 . . . . 0.0 111.692 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.08 92.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.303 0.641 . . . . 0.0 109.818 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -63.36 -7.67 7.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.928 2.091 . . . . 0.0 114.253 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.32 -17.74 58.09 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.837 1.208 . . . . 0.0 114.703 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -76.58 174.87 9.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.606 1.703 . . . . 0.0 107.048 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -143.81 162.96 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.499 1.12 . . . . 0.0 109.874 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -150.13 145.64 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -133.28 138.33 46.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.54 163.9 32.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.33 153.28 51.9 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.7 134.83 43.54 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 127.063 2.145 . . . . 0.0 106.852 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -116.14 140.84 48.88 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.609 1.164 . . . . 0.0 108.527 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.12 -156.06 26.81 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.53 159.38 34.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.22 -45.59 79.84 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.693 -0.63 . . . . 0.0 110.243 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -70.73 -11.9 61.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.675 1.19 . . . . 0.0 112.076 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -62.66 1.45 Allowed 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.74 84.76 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.558 1.143 . . . . 0.0 113.494 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -64.5 -45.68 86.25 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -66.91 -36.37 82.1 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.512 1.125 . . . . 0.0 112.44 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.48 -31.96 60.41 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.243 -0.911 . . . . 0.0 110.047 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.42 83.09 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.98 -30.9 64.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.36 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.41 77.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -61.39 -41.17 96.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.086 0.954 . . . . 0.0 110.345 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.6 82.29 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.58 -36.17 82.97 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.044 -1.035 . . . . 0.0 112.896 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -67.56 -37.62 82.91 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.508 1.049 . . . . 0.0 108.947 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.8 -18.15 62.75 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.315 1.046 . . . . 0.0 113.189 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -54.81 -25.4 28.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.952 1.301 . . . . 0.0 111.961 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -51.56 -37.21 48.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.875 2.07 . . . . 0.0 112.55 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -126.84 -17.65 4.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.065 0.946 . . . . 0.0 112.281 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -96.49 -8.8 31.15 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.76 -170.56 51.21 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 119.306 0.957 . . . . 0.0 113.282 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -57.61 158.06 6.43 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.723 1.209 . . . . 0.0 110.542 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -151.43 164.37 36.88 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.091 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.6 p -134.36 172.77 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.841 1.656 . . . . 0.0 107.528 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.61 153.2 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.284 1.034 . . . . 0.0 108.868 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 116.19 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.4 t -83.55 111.03 19.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.554 1.542 . . . . 0.0 108.767 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.78 173.72 10.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.735 1.214 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.42 36.22 19.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.986 1.714 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 67.44 21.84 9.53 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.24 2.216 . . . . 0.0 111.101 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.14 -1.9 63.16 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.418 1.485 . . . . 0.0 111.612 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -81.34 -9.76 59.68 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.541 1.671 . . . . 0.0 111.885 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.5 m -134.46 121.18 20.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.22 127.28 54.88 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.832 1.653 . . . . 0.0 107.55 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -108.73 99.19 8.58 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.9 mt -95.89 132.88 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.745 1.618 . . . . 0.0 107.063 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -131.03 136.18 48.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.53 150.04 24.96 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.357 1.063 . . . . 0.0 110.394 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.44 -13.32 18.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.443 1.497 . . . . 0.0 113.855 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -178.232 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.446 -0.635 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.69 167.57 12.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.559 1.144 . . . . 0.0 108.017 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 m -132.91 101.29 5.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.5 124.85 48.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.497 1.119 . . . . 0.0 108.194 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -91.64 140.03 30.12 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.29 111.7 17.69 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -86.8 120.63 28.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -113.06 117.73 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.13 114.19 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -79.84 147.75 31.63 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.842 0.829 . . . . 0.0 110.343 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -22.47 61.7 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.695 1.198 . . . . 0.0 108.9 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -66.13 -23.63 66.52 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.129 0.571 . . . . 0.0 111.328 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.58 -17.73 7.31 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 125.334 1.445 . . . . 0.0 113.484 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -85.05 172.09 11.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.119 1.459 . . . . 0.0 113.095 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -136.09 156.76 48.24 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.289 1.436 . . . . 0.0 108.831 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -151.55 146.51 25.92 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.535 1.934 . . . . 0.0 107.241 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -123.16 138.61 54.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.21 156.14 49.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.606 1.563 . . . . 0.0 107.276 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -134.96 132.8 38.82 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -118.5 130.24 55.82 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 125.265 1.426 . . . . 0.0 109.068 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -114.78 157.56 23.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.918 1.287 . . . . 0.0 108.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.7 -165.04 21.68 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 p -70.98 170.42 12.81 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.116 0.958 . . . . 0.0 108.558 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -55.99 -47.73 77.18 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.189 -0.319 . . . . 0.0 110.514 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.91 -44.92 96.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.615 1.166 . . . . 0.0 111.226 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.2 -63.87 1.11 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.854 1.262 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.87 63.29 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.963 0.905 . . . . 0.0 111.729 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -53.42 51.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.034 0.533 . . . . 0.0 110.572 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -62.8 -36.5 83.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.846 0.458 . . . . 0.0 111.812 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -69.68 -36.26 75.84 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.76 -0.587 . . . . 0.0 110.61 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.32 97.22 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.03 0.377 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.79 -31.67 65.03 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.306 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.86 84.07 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.94 -37.31 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.347 0.659 . . . . 0.0 110.734 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.75 51.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.29 -36.73 78.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.063 0.945 . . . . 0.0 112.055 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.5 t -71.24 -8.56 54.44 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.047 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.7 mt -108.63 -17.82 13.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.28 1.832 . . . . 0.0 109.574 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -59.55 -21.27 60.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.749 2.02 . . . . 0.0 112.596 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -73.09 -32.56 65.06 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.73 1.15 . . . . 0.0 112.02 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -101.85 -19.89 15.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.866 0.757 . . . . 0.0 112.567 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -102.01 -15.82 16.66 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.28 -176.52 46.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.09 165.8 1.78 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.532 1.158 . . . . 0.0 112.111 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -142.42 163.55 32.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.541 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -121.26 157.67 29.79 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.2 143.4 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -120.79 141.31 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.956 1.302 . . . . 0.0 108.295 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -102.37 111.53 32.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.82 179.6 4.75 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.103 1.761 . . . . 0.0 111.992 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 48.29 51.17 15.42 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.042 1.737 . . . . 0.0 109.878 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 56.38 10.33 0.65 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.137 1.775 . . . . 0.0 114.142 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.58 -9.4 12.98 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.291 1.9 . . . . 0.0 113.155 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.63 -7.5 59.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.193 1.497 . . . . 0.0 113.465 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -135.48 129.96 33.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 120.357 1.435 . . . . 0.0 109.199 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.7 131.26 56.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.945 1.698 . . . . 0.0 106.916 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -110.81 91.87 3.83 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.1 mt -90.21 127.23 42.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 125.864 1.666 . . . . 0.0 108.904 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -128.84 122.12 29.75 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.279 1.032 . . . . 0.0 110.22 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -79.84 153.19 29.26 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.6 0.55 11.01 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.835 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.241 0.633 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 m -148.86 175.01 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 127.521 2.328 . . . . 0.0 107.227 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -127.33 103.8 7.58 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 109.348 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.01 121.21 39.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 124.888 1.275 . . . . 0.0 108.311 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -96.96 127.05 42.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.86 111.61 23.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -87.5 113.06 22.86 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 104.392 -2.447 . . . . 0.0 104.392 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.07 103.73 13.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.805 0.73 . . . . 0.0 110.13 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.35 123.01 44.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -89.69 151.82 21.67 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 124.27 1.028 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.39 64.73 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.446 1.098 . . . . 0.0 110.654 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -73.99 9.97 1.36 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.996 1.719 . . . . 0.0 112.098 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.33 18.08 79.15 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.22 -1.55 . . . . 0.0 109.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -111.96 174.92 5.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.909 1.683 . . . . 0.0 109.184 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -148.48 157.71 43.65 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.413 -0.804 . . . . 0.0 111.885 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -151.85 146.19 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.839 2.056 . . . . 0.0 106.081 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -134.33 138.5 44.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.513 1.051 . . . . 0.0 108.262 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.47 154.25 40.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.612 1.565 . . . . 0.0 106.985 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.75 108.46 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -95.85 152.03 18.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.531 1.132 . . . . 0.0 109.334 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -131.51 147.0 52.5 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.666 0.786 . . . . 0.0 108.897 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -160.66 26.67 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 107.431 -2.267 . . . . 0.0 107.431 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -65.37 159.56 23.83 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -51.69 -51.61 54.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.944 0.898 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -68.89 -40.17 79.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.615 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.05 -50.23 74.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.05 86.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.536 0.734 . . . . 0.0 111.477 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -60.56 -42.81 97.35 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -63.24 -35.57 80.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.128 0.571 . . . . 0.0 110.211 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.8 -42.14 82.06 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.374 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.05 -40.83 86.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.629 0.65 . . . . 0.0 110.869 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.15 -31.28 64.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.316 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.94 72.09 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -60.1 -46.51 89.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.06 1.344 . . . . 0.0 108.585 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.03 92.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.238 -0.914 . . . . 0.0 109.935 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.47 -34.84 79.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.712 -1.243 . . . . 0.0 110.965 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -16.27 43.81 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.918 1.287 . . . . 0.0 111.348 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -111.6 -8.28 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.867 1.667 . . . . 0.0 112.814 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -77.57 66.59 3.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.058 2.943 . . . . 0.0 106.567 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -155.97 -81.36 0.07 Allowed 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 102.941 -2.985 . . . . 0.0 102.941 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.17 -10.41 59.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -113.32 -17.28 12.33 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.273 -0.87 . . . . 0.0 113.047 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 -163.25 33.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.442 1.019 . . . . 0.0 111.273 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.14 168.66 11.69 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.724 0.773 . . . . 0.0 111.099 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -145.41 161.36 39.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.411 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -128.05 148.58 50.56 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 127.182 2.193 . . . . 0.0 105.909 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.1 150.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.082 0.953 . . . . 0.0 109.964 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -127.17 122.24 33.56 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.966 1.706 . . . . 0.0 107.506 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.09 103.14 9.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.99 169.14 10.77 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.095 0.958 . . . . 0.0 112.533 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 t0 48.62 56.29 7.8 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.389 1.876 . . . . 0.0 111.238 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 58.36 17.72 4.98 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.777 1.231 . . . . 0.0 111.397 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.82 4.82 60.17 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.766 1.65 . . . . 0.0 112.016 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -82.13 -22.01 36.38 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.364 1.582 . . . . 0.0 110.389 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.4 m -121.53 122.04 38.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.6 mt -109.48 110.45 21.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.4 107.27 19.09 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.65 138.69 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.803 0.841 . . . . 0.0 109.08 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.07 136.44 48.44 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.847 1.659 . . . . 0.0 109.541 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -98.18 154.04 18.04 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.418 1.008 . . . . 0.0 108.768 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 -19.09 15.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.668 0.787 . . . . 0.0 112.514 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--O 1.238 0.498 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 m -119.36 174.86 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.265 1.426 . . . . 0.0 108.871 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.2 m -136.9 107.55 6.56 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 126.26 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -91.91 128.93 37.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.46 21.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -93.02 123.65 36.42 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.36 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 125.613 1.565 . . . . 0.0 107.448 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.6 105.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -75.09 151.97 38.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -80.85 -6.41 58.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.274 1.029 . . . . 0.0 112.989 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.74 -23.81 16.49 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.721 -1.044 . . . . 0.0 112.298 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 m -61.02 154.0 23.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.623 1.211 . . . . 0.0 109.236 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -141.58 130.99 23.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -138.91 145.47 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -134.35 139.78 45.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.019 0.827 . . . . 0.0 110.796 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.95 161.15 27.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.906 2.082 . . . . 0.0 107.699 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -134.28 109.3 8.74 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -97.1 151.6 19.61 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -131.17 167.49 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 111.509 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.4 -159.73 14.2 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 161.3 20.02 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.04 -53.23 28.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.251 1.42 . . . . 0.0 110.727 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -64.99 -30.36 71.35 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.53 -61.7 1.71 Allowed 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.362 0.665 . . . . 0.0 109.572 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -30.88 64.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.327 0.392 . . . . 0.0 111.398 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -68.56 -48.83 63.23 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -60.77 -35.77 77.26 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.289 0.636 . . . . 0.0 111.054 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.86 -41.94 99.56 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.919 0.781 . . . . 0.0 110.511 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.8 98.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 117.796 0.271 . . . . 0.0 111.008 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -72.48 -31.05 65.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.996 0.362 . . . . 0.0 110.244 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.31 81.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.312 1.045 . . . . 0.0 109.731 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -67.57 -41.19 84.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.652 1.181 . . . . 0.0 110.109 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.38 83.91 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.725 0.81 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.77 -36.66 84.62 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.226 -0.921 . . . . 0.0 112.764 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -74.25 0.93 12.62 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.62 -6.71 9.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.0 1.32 . . . . 0.0 111.328 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.39 -23.82 51.63 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.202 1.801 . . . . 0.0 113.253 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.73 -64.83 0.81 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.946 0.794 . . . . 0.0 110.556 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.07 -16.64 56.48 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 126.119 1.768 . . . . 0.0 114.818 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -110.24 -12.29 14.47 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.79 -178.0 52.3 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.62 165.77 6.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.548 0.69 . . . . 0.0 110.742 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -148.66 167.39 25.61 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -138.13 145.67 41.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.492 1.517 . . . . 0.0 108.571 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.5 t -117.48 151.45 19.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.14 140.59 52.44 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.689 1.596 . . . . 0.0 107.659 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.94 102.9 13.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 125.643 1.577 . . . . 0.0 109.845 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.19 164.23 14.79 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.035 0.934 . . . . 0.0 108.885 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.84 52.05 14.83 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.092 1.357 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 59.7 4.29 0.54 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 114.06 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.23 -16.58 8.64 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.265 2.364 . . . . 0.0 111.292 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -67.5 -9.47 42.5 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.189 1.495 . . . . 0.0 112.888 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.0 m -132.29 124.72 29.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.42 111.0 20.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -90.25 100.03 12.94 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mt -92.52 129.53 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -130.2 134.38 47.23 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.642 1.177 . . . . 0.0 108.816 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.34 156.11 16.59 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.23 -9.05 16.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.063 1.345 . . . . 0.0 112.956 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.427 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.236 0.369 0 N-CA-C 110.679 -0.119 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -127.73 174.68 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.507 1.523 . . . . 0.0 111.541 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -127.34 133.88 50.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.35 120.03 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.552 1.941 . . . . 0.0 108.256 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -91.57 123.23 34.82 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.255 2.222 . . . . 0.0 110.392 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.05 115.05 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 119.667 1.121 . . . . 0.0 110.086 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -87.47 110.72 20.51 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.24 115.17 27.82 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -113.37 99.65 9.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.97 150.32 35.9 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 123.304 0.641 . . . . 0.0 110.286 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.07 -12.1 61.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.333 1.053 . . . . 0.0 112.303 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -75.92 -22.28 56.19 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.353 -0.842 . . . . 0.0 111.039 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.76 -22.69 9.84 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.657 1.599 . . . . 0.0 109.765 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -67.9 154.89 40.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.45 1.9 . . . . 0.0 109.641 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -136.93 159.73 41.01 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.608 -0.683 . . . . 0.0 110.083 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -152.59 146.45 25.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.843 1.657 . . . . 0.0 107.467 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -126.75 138.72 53.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.81 155.0 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.893 1.677 . . . . 0.0 107.578 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.69 109.16 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.26 153.16 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -131.27 161.89 31.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.684 0.794 . . . . 0.0 110.883 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.05 -160.05 22.81 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -65.3 164.99 12.41 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -53.91 -45.94 71.31 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.68 -52.82 55.19 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.687 -0.673 . . . . 0.0 111.17 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.77 -58.59 6.39 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.747 0.819 . . . . 0.0 111.814 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -34.8 70.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.68 0.392 . . . . 0.0 111.586 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.6 m -68.81 -50.12 52.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -61.05 -35.62 77.4 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.56 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -68.04 -43.16 79.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 109.734 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.67 96.13 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.111 -0.368 . . . . 0.0 110.68 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -73.65 -31.53 63.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.337 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.17 90.03 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.33 1.052 . . . . 0.0 109.192 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -65.1 -45.28 85.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.927 -0.483 . . . . 0.0 110.074 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.27 69.34 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.133 -0.98 . . . . 0.0 111.878 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.72 -36.32 83.91 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.454 -0.779 . . . . 0.0 112.443 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -70.85 -37.04 73.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.656 1.116 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.38 -26.23 66.35 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.7 0.8 . . . . 0.0 112.641 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.02 -27.06 29.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.011 1.324 . . . . 0.0 113.836 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.17 -62.39 1.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.107 0.867 . . . . 0.0 113.145 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.36 -23.62 37.59 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -92.09 -25.8 18.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 116.689 -1.624 . . . . 0.0 114.582 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.2 -176.86 25.93 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.99 1.757 . . . . 0.0 111.524 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.18 158.52 19.75 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 122.214 1.007 . . . . 0.0 111.049 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -132.01 174.99 9.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.057 0.932 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.8 p -137.46 161.96 34.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.23 2.612 . . . . 0.0 105.726 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.09 155.17 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 111.76 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -141.89 142.47 33.08 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 127.602 2.361 . . . . 0.0 106.3 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.17 134.52 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.026 1.33 . . . . 0.0 109.461 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.87 -176.6 4.73 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.699 2.0 . . . . 0.0 109.336 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 52.14 41.66 30.2 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.809 2.044 . . . . 0.0 112.001 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 63.86 17.67 10.67 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.047 1.739 . . . . 0.0 112.627 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.67 29.17 6.0 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.4 -8.75 9.57 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.252 1.026 . . . . 0.0 111.054 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -128.27 120.67 27.59 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -117.9 132.18 56.45 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.506 1.922 . . . . 0.0 107.859 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -113.71 117.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.21 107.2 20.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -110.96 136.28 50.2 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.486 0.714 . . . . 0.0 109.238 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -93.72 151.69 19.47 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.986 1.714 . . . . 0.0 108.568 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.79 3.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.376 0 C-N-CA 127.487 2.47 . . . . 0.0 110.335 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 121.445 0.641 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.49 174.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 128.246 2.618 . . . . 0.0 107.845 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -129.5 124.55 34.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mt -115.73 126.25 73.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -98.35 138.87 34.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.51 116.31 25.82 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.37 1.068 . . . . 0.0 108.779 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -89.07 111.45 22.19 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 103.108 -2.923 . . . . 0.0 103.108 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.07 127.5 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.33 104.98 14.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -85.23 146.76 26.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -19.43 64.59 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -63.0 -21.74 66.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 111.184 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.67 -39.89 2.49 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.818 1.199 . . . . 0.0 112.537 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -71.24 163.55 27.42 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.037 1.418 . . . . 0.0 110.905 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -126.07 161.8 26.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.648 2.379 . . . . 0.0 106.69 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -152.71 146.24 24.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.737 0.815 . . . . 0.0 108.865 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -118.36 138.23 52.56 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.58 143.37 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -133.22 114.39 13.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -112.15 154.85 24.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.734 1.214 . . . . 0.0 110.332 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -131.25 167.15 19.69 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.924 0.89 . . . . 0.0 110.837 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.98 -166.19 19.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 125.575 1.56 . . . . 0.0 109.528 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.2 p -65.2 170.43 4.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.086 1.443 . . . . 0.0 108.459 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.7 -54.99 25.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.833 0.453 . . . . 0.0 111.089 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.7 -31.51 72.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 111.685 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -56.94 12.85 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.218 0.607 . . . . 0.0 109.784 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.98 79.13 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.98 0.512 . . . . 0.0 110.281 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -62.38 -52.55 63.17 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -58.9 -36.54 74.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.05 -44.91 62.6 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 119.479 1.036 . . . . 0.0 110.598 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.36 97.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.248 0.476 . . . . 0.0 110.493 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -73.69 -31.62 63.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.187 -0.435 . . . . 0.0 110.677 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.97 75.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.185 0.902 . . . . 0.0 108.672 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -66.1 -30.02 70.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.185 0.594 . . . . 0.0 110.422 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.26 -36.03 61.31 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.488 -1.383 . . . . 0.0 109.134 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.23 -36.26 81.45 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.44 1.096 . . . . 0.0 112.241 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -71.77 -6.67 43.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.334 -0.854 . . . . 0.0 112.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -114.05 -4.99 13.12 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.021 1.328 . . . . 0.0 111.557 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -59.58 -30.89 68.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.471 1.908 . . . . 0.0 113.483 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.32 -58.24 5.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 120.101 1.319 . . . . 0.0 112.154 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.54 -17.33 60.11 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -114.19 -15.09 12.25 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.48 -172.41 33.01 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -65.48 164.2 14.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -142.59 143.71 32.55 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.82 -0.55 . . . . 0.0 109.846 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 p -93.59 168.54 10.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.279 14.6 p -147.25 126.95 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 O-C-N 121.56 -0.712 . . . . 0.0 109.112 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -121.65 133.67 54.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.73 1.212 . . . . 0.0 108.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.75 134.59 26.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.324 1.05 . . . . 0.0 112.275 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.32 173.22 11.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.596 1.558 . . . . 0.0 108.744 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 43.71 52.11 6.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.883 2.073 . . . . 0.0 112.53 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.88 18.41 3.84 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.843 1.257 . . . . 0.0 114.125 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.42 -2.69 32.71 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.218 1.39 . . . . 0.0 112.266 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.05 -3.04 57.53 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.168 1.484 . . . . 0.0 111.656 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.8 m -134.2 142.06 47.26 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.7 131.16 51.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.48 1.512 . . . . 0.0 110.272 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -101.31 112.45 24.97 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 103.915 -2.624 . . . . 0.0 103.915 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.23 102.37 13.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -102.67 123.8 47.03 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.995 1.318 . . . . 0.0 107.481 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -82.98 137.36 34.19 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.33 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.292 1.037 . . . . 0.0 112.724 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.91 -2.076 . . . . 0.0 107.91 -179.038 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 . . . . . 0 C--O 1.239 0.511 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.69 174.92 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 127.516 2.326 . . . . 0.0 108.783 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -128.18 108.57 10.74 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -93.56 125.53 46.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -94.24 133.17 38.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.68 118.85 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.973 0.351 . . . . 0.0 111.719 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -86.0 122.84 30.61 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 126.082 1.753 . . . . 0.0 107.191 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.21 134.84 51.24 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.4 124.55 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.99 159.1 16.81 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.826 0.851 . . . . 0.0 111.038 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.49 15.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.789 1.636 . . . . 0.0 112.789 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -95.67 4.51 52.97 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.347 1.859 . . . . 0.0 107.863 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.71 -13.05 38.07 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 120.03 -1.669 . . . . 0.0 112.782 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 m -70.79 156.51 39.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.972 0.886 . . . . 0.0 109.704 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -138.46 150.56 46.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.798 1.239 . . . . 0.0 108.403 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -152.31 146.41 25.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.419 1.088 . . . . 0.0 108.717 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 133.09 55.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.083 1.31 . . . . 0.0 108.988 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.14 166.62 11.63 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.003 1.721 . . . . 0.0 110.19 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -143.39 126.18 16.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.433 1.893 . . . . 0.0 107.434 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -123.54 129.13 50.74 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -110.28 142.82 41.36 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.18 -164.77 30.61 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 107.729 -2.149 . . . . 0.0 107.729 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.9 p -70.84 165.11 23.9 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.24 -48.29 79.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.574 -0.704 . . . . 0.0 110.637 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.67 -26.21 66.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.489 0.716 . . . . 0.0 112.402 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.42 -56.15 4.39 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.091 0.86 . . . . 0.0 109.147 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.18 -36.47 68.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.257 1.023 . . . . 0.0 111.509 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -64.37 -47.0 80.91 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -64.27 -35.69 81.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.499 0.72 . . . . 0.0 110.676 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.1 -35.27 80.2 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.812 -0.555 . . . . 0.0 111.293 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.94 96.74 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -72.82 -30.43 64.04 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.014 0.526 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.69 -51.9 55.74 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 108.75 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.72 -45.1 90.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.131 1.373 . . . . 0.0 109.322 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.84 78.73 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.234 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.32 -36.88 79.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.437 1.017 . . . . 0.0 109.863 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -10.23 24.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.261 1.024 . . . . 0.0 111.782 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.3 mt -118.3 -8.98 10.5 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.584 1.954 . . . . 0.0 111.121 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -60.49 -25.92 66.42 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.198 1.399 . . . . 0.0 114.439 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -61.23 1.84 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.242 0.928 . . . . 0.0 109.585 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.01 -21.53 56.78 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -107.63 -10.24 15.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.902 0.774 . . . . 0.0 112.678 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.24 -177.34 42.63 Favored Glycine 0 C--N 1.332 0.353 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.58 164.79 7.09 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.6 p-90 -149.81 166.54 29.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.318 0.58 . . . . 0.0 111.832 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -140.13 159.94 41.07 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.978 2.111 . . . . 0.0 105.339 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.82 150.49 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.248 0.547 . . . . 0.0 111.059 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 14.2 t70 -127.38 132.33 50.18 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.023 2.529 . . . . 0.0 104.302 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.4 133.7 34.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 123.802 0.841 . . . . 0.0 109.318 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.43 164.95 26.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.895 1.278 . . . . 0.0 109.56 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 45.43 48.92 10.69 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.986 1.714 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 63.03 -0.9 0.55 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.941 2.097 . . . . 0.0 114.625 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.2 -9.99 6.97 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 127.678 2.561 . . . . 0.0 111.314 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -68.24 -12.85 61.68 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.939 1.869 . . . . 0.0 110.646 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.4 m -131.43 130.09 42.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.54 131.98 54.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 124.355 1.062 . . . . 0.0 108.67 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 82.3 m-20 -108.61 106.67 16.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mt -110.51 108.89 26.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.0 135.78 47.98 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -104.24 123.94 48.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.867 1.267 . . . . 0.0 108.863 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.82 -22.7 63.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 125.0 1.32 . . . . 0.0 112.606 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 . . . . . 0 C--O 1.239 0.55 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.86 169.87 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.792 1.237 . . . . 0.0 108.148 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -132.81 103.7 6.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mt -90.83 121.67 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -90.49 93.7 9.41 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.51 109.87 20.41 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -91.82 131.18 37.36 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.95 129.57 54.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.34 106.72 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -71.73 159.15 34.85 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.02 -10.59 57.76 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -87.1 36.8 0.74 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.284 1.434 . . . . 0.0 112.151 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.74 22.76 Favored Glycine 0 C--N 1.342 0.869 0 C-N-CA 125.497 1.522 . . . . 0.0 113.91 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p -155.62 160.46 40.46 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -133.2 167.45 20.34 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.532 0.682 . . . . 0.0 110.53 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.84 146.18 25.49 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.695 1.998 . . . . 0.0 106.034 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -134.04 129.08 35.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.693 -2.336 . . . . 0.0 104.693 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.9 129.44 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 126.493 1.917 . . . . 0.0 110.599 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -104.01 109.59 21.43 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -89.05 138.72 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -124.14 157.32 34.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.049 0.94 . . . . 0.0 110.367 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.15 -160.27 18.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 155.0 38.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.03 -47.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.419 0.688 . . . . 0.0 112.025 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.6 -43.26 97.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.564 0.746 . . . . 0.0 110.7 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.92 -65.66 0.65 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.634 1.174 . . . . 0.0 109.337 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.83 39.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.702 1.201 . . . . 0.0 112.683 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.0 m -66.35 -50.58 63.08 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -61.45 -35.86 78.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.317 0.647 . . . . 0.0 110.952 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.4 -41.57 76.24 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.867 0.867 . . . . 0.0 110.003 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.12 81.71 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -73.08 -29.01 62.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.627 0.771 . . . . 0.0 110.509 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.12 27.32 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.142 -0.974 . . . . 0.0 108.679 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.53 -41.22 89.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.111 0.564 . . . . 0.0 110.785 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.19 76.55 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.029 -0.419 . . . . 0.0 109.921 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -69.39 -36.05 76.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.056 0.543 . . . . 0.0 110.67 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -23.94 66.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.491 -0.755 . . . . 0.0 111.727 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.9 mt -101.97 -11.47 18.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.413 1.085 . . . . 0.0 111.923 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -58.03 -20.05 35.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 127.346 2.258 . . . . 0.0 114.452 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -59.43 -57.85 11.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.795 0.725 . . . . 0.0 109.544 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -90.87 -31.4 16.44 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.684 1.594 . . . . 0.0 113.406 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.46 -5.87 57.99 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.28 -175.57 42.62 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 123.86 0.743 . . . . 0.0 113.012 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -64.87 166.76 8.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.226 1.013 . . . . 0.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -147.51 168.23 22.45 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.456 1.102 . . . . 0.0 110.707 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 p -136.94 163.7 30.08 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.53 130.91 24.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 119.161 0.892 . . . . 0.0 112.568 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -100.14 111.18 23.47 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.883 -2.265 . . . . 0.0 104.883 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -82.25 125.81 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.87 173.58 11.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.999 0.92 . . . . 0.0 111.488 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 44.53 64.6 1.29 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.332 2.253 . . . . 0.0 112.343 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 59.28 15.81 4.54 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.505 1.522 . . . . 0.0 112.079 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.04 1.25 82.32 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.602 2.048 . . . . 0.0 110.886 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -75.5 -10.12 59.17 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.238 1.519 . . . . 0.0 111.013 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.4 m -132.68 126.36 32.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.05 131.16 57.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -110.08 91.31 3.6 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.84 115.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 125.291 1.437 . . . . 0.0 107.538 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.68 120.94 38.93 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -83.29 141.52 31.77 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.929 -1.487 . . . . 0.0 107.63 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 -13.84 20.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.709 1.204 . . . . 0.0 111.672 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.029 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 N--CA 1.441 -0.879 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 174.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.799 1.639 . . . . 0.0 109.275 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -131.95 134.02 45.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mt -121.22 124.71 72.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 97.48 10.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.47 1.508 . . . . 0.0 110.188 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.94 126.36 34.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.717 0.77 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -101.38 131.42 47.47 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.24 114.91 20.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.61 133.96 57.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.426 -2.065 . . . . 0.0 105.426 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -117.3 149.48 40.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.753 0.421 . . . . 0.0 110.814 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.42 -25.55 64.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.369 1.068 . . . . 0.0 110.332 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -53.18 -32.92 50.36 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.945 1.298 . . . . 0.0 111.431 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.71 -27.09 6.65 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.06 169.62 17.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.747 1.261 . . . . 0.0 110.439 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 p -137.43 159.98 40.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.025 2.13 . . . . 0.0 108.326 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -146.26 145.09 30.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.65 1.18 . . . . 0.0 108.296 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -118.2 139.35 51.42 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.301 1.04 . . . . 0.0 111.182 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.15 152.69 48.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.245 1.418 . . . . 0.0 108.61 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -143.99 109.8 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 127.033 2.133 . . . . 0.0 105.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.71 146.43 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -130.2 149.57 51.84 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 110.833 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.23 -161.21 23.56 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -62.15 151.0 37.08 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.84 -45.68 78.33 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.38 -44.23 84.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.006 0.922 . . . . 0.0 111.011 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -66.52 -59.32 3.75 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.506 1.123 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.41 -37.72 57.33 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.991 0.916 . . . . 0.0 111.989 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -60.7 -53.03 62.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.765 -0.584 . . . . 0.0 109.909 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -62.11 -35.69 79.47 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.522 1.055 . . . . 0.0 112.407 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.51 -41.74 94.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.607 0.64 . . . . 0.0 111.126 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.5 84.52 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 119.027 -0.511 . . . . 0.0 110.864 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -72.92 -31.2 64.47 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.253 0.933 . . . . 0.0 109.421 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.62 74.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 39' ' ' THR . 4.9 t80 -69.8 -45.63 67.49 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.83 -36.63 82.8 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.181 -0.949 . . . . 0.0 112.208 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 36' ' ' TYR . 15.4 t -68.89 -21.07 64.26 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.103 0.865 . . . . 0.0 111.499 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.96 -0.31 27.06 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.294 -0.879 . . . . 0.0 113.092 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -64.66 -38.43 90.97 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.725 1.148 . . . . 0.0 112.701 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -79.43 -28.95 41.69 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.393 1.452 . . . . 0.0 109.264 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.26 -26.26 52.3 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 125.007 1.323 . . . . 0.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -130.74 -4.79 4.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.36 178.91 34.12 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 119.437 1.017 . . . . 0.0 113.219 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 157.64 17.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 122.189 0.995 . . . . 0.0 109.966 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -134.39 168.55 18.71 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 123.211 1.481 . . . . 0.0 111.544 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.46 152.59 43.14 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 130.214 3.406 . . . . 0.0 105.188 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.27 138.44 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -120.66 141.14 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.076 1.351 . . . . 0.0 108.022 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.69 102.65 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 126.816 2.046 . . . . 0.0 106.428 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.07 172.73 6.98 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.6 1.56 . . . . 0.0 110.635 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t0 43.28 57.62 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 129.062 2.945 . . . . 0.0 113.593 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 61.24 3.05 0.67 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.589 1.156 . . . . 0.0 112.964 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.84 -10.02 10.39 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 128.617 3.008 . . . . 0.0 110.944 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.25 -7.28 59.54 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.866 1.833 . . . . 0.0 114.858 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.9 m -123.96 131.04 53.51 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.69 131.34 56.15 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -115.74 91.85 3.73 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.03 105.16 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.536 1.534 . . . . 0.0 108.017 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -111.52 123.84 51.04 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.723 1.209 . . . . 0.0 109.163 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -92.02 163.0 14.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.184 1.394 . . . . 0.0 110.693 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.52 -19.44 12.12 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.125 0 N-CA-C 107.612 -2.195 . . . . 0.0 107.612 -178.338 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.36 166.15 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 121.302 -0.874 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -128.5 96.8 4.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.943 -2.244 . . . . 0.0 104.943 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 mt -89.95 118.54 35.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -91.02 126.3 36.06 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.91 111.22 23.23 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -91.22 119.52 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.65 123.73 50.96 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 122.223 1.011 . . . . 0.0 109.752 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.99 113.3 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 127.67 2.388 . . . . 0.0 108.005 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.42 157.13 19.9 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.383 0.611 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -14.42 61.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.51 0.724 . . . . 0.0 111.433 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -91.42 7.18 42.38 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.108 1.763 . . . . 0.0 111.369 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.02 -20.6 28.18 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.354 0.978 . . . . 0.0 113.669 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -64.34 161.83 16.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.62 1.71 . . . . 0.0 110.211 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -144.23 129.35 18.64 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 121.185 -0.947 . . . . 0.0 109.753 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -127.35 145.05 50.94 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -123.21 138.17 54.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.52 49.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -129.9 118.97 22.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -113.89 140.36 48.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.939 1.696 . . . . 0.0 107.893 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -124.43 152.0 43.82 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.977 1.711 . . . . 0.0 108.455 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.08 -155.0 21.43 Favored Glycine 0 C--O 1.237 0.309 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.14 161.67 13.08 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -57.92 -54.67 44.29 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.857 -0.527 . . . . 0.0 109.893 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.21 -31.03 69.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.78 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.17 -55.63 30.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.292 0.951 . . . . 0.0 108.507 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.89 87.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.572 0.749 . . . . 0.0 110.069 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.6 m -59.95 -54.18 49.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.307 0.643 . . . . 0.0 109.475 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -33.1 72.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 111.594 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.58 -39.81 92.04 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.769 0.713 . . . . 0.0 110.219 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.36 93.76 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.75 -0.594 . . . . 0.0 110.097 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.05 -29.06 62.69 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -55.31 17.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.65 -46.77 77.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.744 1.218 . . . . 0.0 110.193 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.48 78.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.558 -0.714 . . . . 0.0 111.628 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.78 -34.02 73.19 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.866 -1.146 . . . . 0.0 109.868 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -5.57 12.55 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.049 1.34 . . . . 0.0 112.175 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -122.13 -14.02 8.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.481 1.512 . . . . 0.0 111.396 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.15 -25.26 58.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.517 1.527 . . . . 0.0 113.6 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.46 -61.34 2.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 120.721 1.6 . . . . 0.0 111.035 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.92 -25.43 37.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -89.21 -18.13 27.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.435 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.81 -179.22 44.23 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.887 1.232 . . . . 0.0 111.755 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.16 164.73 4.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 122.669 1.223 . . . . 0.0 111.748 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -144.66 170.48 16.0 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.119 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -132.85 172.66 12.3 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.86 155.78 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.99 141.19 48.16 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.0 t -103.2 134.27 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 125.924 1.69 . . . . 0.0 109.585 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 57' ' ' THR . . . -140.0 170.7 15.38 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.624 1.569 . . . . 0.0 107.975 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.86 43.74 25.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.869 1.668 . . . . 0.0 110.215 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 60.04 2.44 0.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.15 1.78 . . . . 0.0 113.331 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.43 -13.13 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.779 2.133 . . . . 0.0 111.818 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -76.02 -3.42 35.68 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.641 1.72 . . . . 0.0 113.175 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.408 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 87.5 m -133.29 133.84 43.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.49 131.43 52.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.77 120.68 40.09 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 mt -118.77 130.82 73.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.547 1.139 . . . . 0.0 108.056 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -123.63 120.39 32.64 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.19 0.596 . . . . 0.0 109.752 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -81.8 117.7 22.3 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 -10.15 59.75 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-N 119.641 1.11 . . . . 0.0 112.381 -179.567 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 . . . . . 0 C--O 1.237 0.4 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.16 174.38 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 108.28 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -139.23 111.2 7.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.419 1.888 . . . . 0.0 106.991 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.73 132.09 54.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -99.99 140.88 33.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.27 117.99 28.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -85.51 125.75 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 102.735 -3.061 . . . . 0.0 102.735 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 104.35 12.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -100.31 126.79 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -111.37 142.24 43.86 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.44 65.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.061 1.344 . . . . 0.0 111.63 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.71 -5.26 23.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.887 0.875 . . . . 0.0 110.816 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.76 8.86 69.28 Favored Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.755 -1.215 . . . . 0.0 111.784 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -97.92 161.56 13.68 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.32 1.048 . . . . 0.0 108.538 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.3 p -143.63 158.03 43.97 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.607 -0.683 . . . . 0.0 110.339 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -152.09 148.02 27.17 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.125 1.77 . . . . 0.0 106.755 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -134.38 138.86 45.18 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 119.68 -1.888 . . . . 0.0 107.418 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.67 159.01 43.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.015 0.926 . . . . 0.0 110.16 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -126.79 147.84 49.98 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -135.98 138.91 42.75 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -121.64 156.98 31.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.51 0.724 . . . . 0.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.55 -148.09 19.47 Favored Glycine 0 C--N 1.329 0.188 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -75.03 166.54 23.5 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.11 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.59 -47.1 87.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.004 1.322 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.22 -54.37 41.79 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.68 -30.49 63.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.112 0.565 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -71.23 -55.6 7.77 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.488 -1.382 . . . . 0.0 109.329 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -36.0 81.54 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -29.6 68.93 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.088 1.313 . . . . 0.0 109.408 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.8 81.81 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -73.25 -31.96 64.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.88 81.69 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.81 -45.79 89.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.16 0.984 . . . . 0.0 109.128 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.81 69.96 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.96 -1.088 . . . . 0.0 111.663 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -62.9 -36.68 84.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 125.069 1.348 . . . . 0.0 113.394 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -33.41 75.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.139 0.881 . . . . 0.0 110.63 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -85.29 -6.95 59.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.695 1.198 . . . . 0.0 112.804 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -65.28 -7.08 11.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.846 1.658 . . . . 0.0 114.011 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -60.99 2.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 120.446 1.476 . . . . 0.0 109.392 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.22 -16.41 59.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.627 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -111.73 -11.8 13.93 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.995 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.91 -167.37 54.68 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -57.63 162.18 3.19 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.696 1.236 . . . . 0.0 112.141 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -150.88 167.66 26.84 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.647 1.579 . . . . 0.0 107.862 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.5 p -141.52 154.3 45.41 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.33 122.48 51.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 118.105 0.412 . . . . 0.0 110.356 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.4 141.7 30.17 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -96.53 121.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.971 0.908 . . . . 0.0 109.689 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 172.87 9.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.003 1.321 . . . . 0.0 109.332 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 t0 44.24 59.38 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 127.114 2.166 . . . . 0.0 111.964 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 54.48 12.03 0.49 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.78 13.7 13.69 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 118.279 -1.29 . . . . 0.0 112.031 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -111.47 -6.44 14.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.847 1.824 . . . . 0.0 112.205 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.6 m -129.61 107.22 9.28 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.383 1.073 . . . . 0.0 108.475 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.26 124.45 41.37 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -96.42 91.81 6.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.51 114.42 28.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 119.116 0.871 . . . . 0.0 108.654 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -127.57 132.77 49.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -94.13 154.17 17.73 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.742 1.617 . . . . 0.0 110.333 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.33 -8.05 13.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 O-C-N 121.192 -0.942 . . . . 0.0 113.775 179.169 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 . . . . . 0 C--O 1.236 0.386 0 CA-C-O 121.431 0.634 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.73 173.64 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 128.863 2.865 . . . . 0.0 107.214 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -134.5 136.76 43.36 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.06 121.84 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -91.53 132.86 35.99 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.36 131.23 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.63 0.772 . . . . 0.0 109.846 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -104.15 118.93 37.83 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.28 111.32 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.912 1.285 . . . . 0.0 109.168 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.13 129.66 59.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 124.962 1.305 . . . . 0.0 107.56 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -105.02 158.45 16.54 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 123.872 0.869 . . . . 0.0 108.834 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -14.86 63.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.955 0.502 . . . . 0.0 110.188 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -74.22 0.93 12.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.054 1.741 . . . . 0.0 110.62 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.54 -41.93 2.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -59.55 160.17 7.41 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.673 1.189 . . . . 0.0 112.746 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.2 p -136.0 172.21 13.35 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 110.835 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -152.72 146.96 25.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.147 2.179 . . . . 0.0 107.131 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -125.26 138.85 54.1 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.67 163.1 27.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.199 1.399 . . . . 0.0 109.113 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -137.6 109.89 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.485 1.914 . . . . 0.0 106.427 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.78 143.76 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.149 1.38 . . . . 0.0 108.293 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -131.65 148.23 52.58 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.44 1.496 . . . . 0.0 110.731 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.18 -145.7 17.04 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.9 p -89.97 -176.56 4.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 117.756 0.778 . . . . 0.0 109.286 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -56.45 -63.55 1.16 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.364 1.066 . . . . 0.0 111.987 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.65 -34.87 74.93 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -58.28 -67.11 0.38 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.517 1.527 . . . . 0.0 111.592 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.22 95.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 124.515 1.135 . . . . 0.0 112.018 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 m -63.18 -45.48 91.61 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.164 -0.335 . . . . 0.0 110.201 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -67.5 -35.15 78.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.57 -40.15 92.47 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.15 82.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.345 0.52 . . . . 0.0 110.17 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.47 -31.16 63.62 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.471 0.578 . . . . 0.0 110.127 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.68 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 120.945 -1.097 . . . . 0.0 108.937 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -58.27 -46.06 86.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.754 2.022 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.12 -36.31 66.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.903 0.319 . . . . 0.0 110.164 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.78 -30.39 71.42 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.858 -1.151 . . . . 0.0 111.793 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -16.0 63.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.717 1.207 . . . . 0.0 112.162 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.46 -1.62 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 0.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -80.87 56.67 2.8 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 127.374 2.269 . . . . 0.0 110.314 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -152.28 -57.93 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.45 -20.78 53.94 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.725 -0.61 . . . . 0.0 111.941 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -105.9 -39.04 6.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.45 -179.35 16.45 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.38 159.72 23.5 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.434 0.635 . . . . 0.0 109.427 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -139.44 162.44 35.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.663 0.785 . . . . 0.0 110.039 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -127.19 163.45 23.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.18 157.23 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.274 0.559 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 15.0 t70 -138.67 121.23 16.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.18 130.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.11 174.13 10.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.24 1.016 . . . . 0.0 110.608 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.92 64.25 1.53 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 127.534 2.334 . . . . 0.0 111.449 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 58.5 4.25 0.34 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.433 1.493 . . . . 0.0 113.815 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.29 0.19 29.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 125.811 1.672 . . . . 0.0 112.23 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -87.74 -9.3 54.43 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.598 1.699 . . . . 0.0 112.559 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.6 m -123.41 114.79 20.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -105.88 129.07 54.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 85.7 m-20 -110.9 110.83 21.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.47 127.18 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 120.526 1.512 . . . . 0.0 108.056 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -131.11 136.41 48.35 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.99 143.41 27.88 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.203 1.001 . . . . 0.0 109.143 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.38 -65.04 1.06 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.876 0.87 . . . . 0.0 109.189 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 CA--C 1.539 0.528 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -131.38 175.88 10.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 C-N-CA 126.76 2.024 . . . . 0.0 111.131 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.47 136.61 52.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.574 1.549 . . . . 0.0 108.572 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mt -125.41 125.27 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.916 1.286 . . . . 0.0 108.192 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -96.42 93.93 7.12 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.649 1.18 . . . . 0.0 109.631 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.71 109.75 19.93 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -84.3 132.06 34.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 127.047 2.139 . . . . 0.0 105.961 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -116.67 114.67 24.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.153 0.981 . . . . 0.0 110.216 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.94 100.46 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.16 159.13 26.12 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.88 -0.513 . . . . 0.0 111.515 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.28 -26.75 63.95 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.53 9.16 1.47 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.825 0.85 . . . . 0.0 111.726 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.18 18.6 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.208 1.861 . . . . 0.0 113.712 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -57.43 153.0 13.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.667 1.587 . . . . 0.0 111.24 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -127.83 139.37 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.727 1.611 . . . . 0.0 109.78 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -152.55 146.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.103 -0.998 . . . . 0.0 109.66 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 m -132.09 138.75 48.25 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.093 -1.076 . . . . 0.0 108.093 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.88 107.95 4.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.582 1.953 . . . . 0.0 108.158 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.75 109.89 21.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -88.13 143.7 26.91 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 124.695 1.198 . . . . 0.0 109.24 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -125.29 147.45 49.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.371 1.068 . . . . 0.0 110.597 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.38 -162.69 22.05 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.297 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 151.65 17.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -55.7 -46.81 77.58 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.091 -0.381 . . . . 0.0 111.796 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -63.5 -46.42 86.18 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.86 -57.11 12.92 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.19 99.3 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.385 0.274 . . . . 0.0 111.607 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.7 m -63.07 -40.65 98.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -65.95 -36.93 84.7 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.199 1.0 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -73.28 -31.38 64.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.67 -0.644 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.51 96.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -73.1 -32.6 65.07 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.845 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.63 68.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.161 0.437 . . . . 0.0 109.842 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -71.3 -40.64 70.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.628 -0.67 . . . . 0.0 109.31 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.44 72.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.582 -0.699 . . . . 0.0 109.145 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.74 -37.14 85.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.865 1.266 . . . . 0.0 112.758 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.97 -14.69 63.19 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.646 1.112 . . . . 0.0 111.106 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.72 -10.81 14.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.483 1.113 . . . . 0.0 112.097 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.54 -44.23 76.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.757 1.223 . . . . 0.0 111.719 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -59.11 -23.14 61.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -117.92 -2.83 11.24 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.808 1.186 . . . . 0.0 114.021 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -127.34 -10.52 5.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.84 0.856 . . . . 0.0 113.037 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.11 38.6 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 125.425 1.488 . . . . 0.0 112.868 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.36 166.69 16.11 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -142.73 160.6 40.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.746 0.818 . . . . 0.0 111.185 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.29 147.97 49.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -121.56 146.47 26.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 123.315 0.646 . . . . 0.0 111.752 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -115.51 124.84 52.09 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.836 -1.912 . . . . 0.0 105.836 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 109.78 17.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.11 162.31 18.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.715 1.206 . . . . 0.0 108.866 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.36 48.23 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 112.436 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.5 24.12 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.427 -0.795 . . . . 0.0 112.122 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.57 -9.05 60.44 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.863 2.173 . . . . 0.0 112.291 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.12 -7.14 50.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.225 2.012 . . . . 0.0 111.033 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.6 m -138.48 132.85 31.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -126.42 123.56 38.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.17 94.44 5.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.9 mt -91.71 112.75 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.83 1.252 . . . . 0.0 107.745 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 135.8 54.47 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.11 147.82 25.48 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.67 1.188 . . . . 0.0 112.035 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.47 -7.76 21.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.657 1.583 . . . . 0.0 112.479 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -178.578 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.09 167.27 26.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.552 1.541 . . . . 0.0 107.495 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.3 m -126.82 108.26 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.76 120.81 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -91.51 134.59 34.52 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.3 136.6 52.99 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.628 1.571 . . . . 0.0 107.649 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -117.48 132.29 56.58 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.789 2.036 . . . . 0.0 107.412 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -117.51 126.34 52.42 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.249 1.42 . . . . 0.0 107.368 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.68 107.81 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -88.01 158.74 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.136 0.974 . . . . 0.0 112.11 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.645 1.178 . . . . 0.0 108.749 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.21 2.95 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.898 2.079 . . . . 0.0 110.807 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.42 -4.49 49.37 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 120.897 -1.127 . . . . 0.0 112.467 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -81.64 160.28 23.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.512 1.525 . . . . 0.0 108.677 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -134.56 156.16 49.16 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -152.28 146.0 25.05 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -130.96 134.78 47.04 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 163.35 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.158 1.383 . . . . 0.0 108.664 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -141.5 132.29 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.5 127.79 45.89 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -111.02 158.28 18.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.935 0.894 . . . . 0.0 109.204 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.62 -149.73 19.11 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 107.489 -2.244 . . . . 0.0 107.489 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 p -77.23 156.71 31.29 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.6 -53.23 32.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.707 1.203 . . . . 0.0 113.639 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.77 -39.02 87.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.009 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -59.43 5.43 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.751 0.82 . . . . 0.0 109.941 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.1 65.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.394 0.678 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -68.38 -43.46 77.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.996 -0.44 . . . . 0.0 110.34 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -35.74 81.42 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.092 -1.005 . . . . 0.0 111.61 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.27 -40.27 95.64 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.908 0.883 . . . . 0.0 109.466 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.2 93.34 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.39 -28.75 62.19 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.845 -0.534 . . . . 0.0 110.785 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.28 21.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.995 1.318 . . . . 0.0 108.755 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.24 -34.87 75.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.7 65.79 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.622 -1.299 . . . . 0.0 110.458 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.47 -36.5 82.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.76 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -68.0 -39.1 83.29 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.459 1.027 . . . . 0.0 109.039 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.81 -26.3 66.0 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.869 0.868 . . . . 0.0 111.05 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.11 -22.84 61.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -60.06 3.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.718 0.69 . . . . 0.0 112.301 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.05 -23.17 21.52 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.96 -20.43 21.38 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.635 0.652 . . . . 0.0 112.602 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.88 -170.77 32.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.46 165.7 3.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.196 0.998 . . . . 0.0 111.298 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -148.6 160.94 42.63 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.931 1.292 . . . . 0.0 109.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 p -124.48 173.3 8.54 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.318 1.847 . . . . 0.0 107.639 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.34 132.29 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.91 127.45 41.95 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.7 t -100.21 117.73 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.55 170.76 15.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.137 1.775 . . . . 0.0 107.699 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.79 34.63 10.47 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.96 1.704 . . . . 0.0 112.292 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 58.39 28.72 17.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.241 1.416 . . . . 0.0 112.173 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.85 69.61 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.037 -1.424 . . . . 0.0 114.339 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.45 -9.2 59.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.531 2.166 . . . . 0.0 113.387 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 m -132.78 113.29 12.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.1 mt -100.6 132.52 45.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -124.73 100.19 6.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -98.54 136.83 27.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -131.88 125.76 32.53 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -81.32 133.52 35.44 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.351 0.596 . . . . 0.0 111.393 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.46 -21.65 66.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.71 1.604 . . . . 0.0 112.564 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.677 0 C-N-CA 125.313 1.435 . . . . 0.0 110.924 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.95 175.14 11.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 125.509 1.524 . . . . 0.0 109.234 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.07 110.49 12.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -96.74 117.77 41.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -91.0 108.13 19.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.05 111.57 23.55 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.382 1.073 . . . . 0.0 109.616 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -87.35 131.58 34.23 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -122.18 126.59 48.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.86 119.43 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -90.06 154.67 19.62 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.45 65.81 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.445 0.298 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.16 -3.0 23.86 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.608 0.718 . . . . 0.0 109.91 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.9 -10.48 74.42 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 127.881 2.658 . . . . 0.0 114.717 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -64.83 151.15 46.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.52 1.128 . . . . 0.0 111.33 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -117.48 143.26 46.23 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.998 0.919 . . . . 0.0 110.766 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -149.96 146.74 27.2 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.252 1.821 . . . . 0.0 109.796 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.67 139.99 52.37 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.469 0.707 . . . . 0.0 109.783 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 154.61 43.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.5 2.32 . . . . 0.0 107.279 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -135.82 109.77 8.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -97.48 129.81 44.63 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -110.85 153.77 24.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.691 1.596 . . . . 0.0 108.895 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.35 -155.9 20.63 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -70.6 161.55 30.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.16 -50.46 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.658 0.783 . . . . 0.0 110.552 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -59.73 -48.68 80.71 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.08 0.952 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -55.05 -57.16 12.84 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 124.887 1.275 . . . . 0.0 110.012 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.91 71.06 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.545 1.138 . . . . 0.0 111.302 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -68.37 -47.68 66.75 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -61.31 -35.63 77.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.907 0.483 . . . . 0.0 110.29 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.19 -41.3 98.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 118.332 0.514 . . . . 0.0 110.168 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.14 93.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.981 0.355 . . . . 0.0 110.8 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.69 -31.43 63.43 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.835 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.23 59.74 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.823 1.249 . . . . 0.0 109.182 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.8 -47.2 86.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.114 1.366 . . . . 0.0 109.323 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.24 -30.38 70.41 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.427 -0.796 . . . . 0.0 111.28 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.04 -36.39 83.83 Favored 'General case' 0 C--O 1.228 -0.053 0 CA-C-N 118.325 0.511 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -22.97 64.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.874 0.307 . . . . 0.0 111.277 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.03 -12.76 24.43 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 124.083 0.953 . . . . 0.0 112.013 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.74 -9.08 3.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.038 2.135 . . . . 0.0 113.608 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -78.56 -73.53 0.32 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.98 -12.94 61.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.395 0.998 . . . . 0.0 113.316 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -105.97 -9.6 17.0 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.914 0.779 . . . . 0.0 111.467 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.04 49.99 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.16 161.7 5.08 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 122.564 1.173 . . . . 0.0 110.479 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -134.88 164.69 27.02 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.765 0.793 . . . . 0.0 111.274 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.3 p -126.05 157.72 37.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.74 163.47 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 118.722 0.692 . . . . 0.0 111.178 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.41 141.88 32.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.202 2.201 . . . . 0.0 106.865 178.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.08 133.39 50.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.109 0.964 . . . . 0.0 108.476 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.26 166.75 23.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 46.4 45.13 13.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.257 1.423 . . . . 0.0 111.866 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 52.18 39.23 26.4 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.471 1.908 . . . . 0.0 111.58 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.92 72.43 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-O 118.217 -1.324 . . . . 0.0 113.351 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.02 -13.22 61.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.965 1.883 . . . . 0.0 110.08 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -129.28 123.14 31.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.18 133.33 56.14 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -118.95 97.2 5.58 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.484 0.713 . . . . 0.0 109.756 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.95 119.68 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 108.579 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 117.21 30.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.409 1.484 . . . . 0.0 107.597 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -79.91 136.08 36.57 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.812 0.845 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.16 -20.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.431 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.367 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 . . . . . 0 C--O 1.238 0.454 0 CA-C-O 121.804 0.812 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.88 170.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 126.283 1.833 . . . . 0.0 107.16 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -132.26 140.2 48.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.63 117.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -92.73 111.47 23.08 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.81 112.02 24.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.074 0.94 . . . . 0.0 108.636 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -85.1 129.34 34.82 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 119.18 32.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -114.54 100.63 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 125.492 1.517 . . . . 0.0 108.503 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -71.31 154.19 41.8 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.715 0.806 . . . . 0.0 109.731 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.05 61.89 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.601 1.161 . . . . 0.0 109.71 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -62.33 -22.26 65.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.204 1.402 . . . . 0.0 113.139 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.1 -21.76 10.04 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.702 1.144 . . . . 0.0 113.159 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 t -70.13 177.14 3.38 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 0.0 110.423 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.06 147.33 32.46 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 127.001 2.12 . . . . 0.0 106.821 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -151.59 145.89 25.44 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.42 135.63 48.92 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.03 160.76 30.93 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.525 1.53 . . . . 0.0 108.685 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.48 149.14 43.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -137.13 129.36 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -117.34 146.26 43.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.757 1.223 . . . . 0.0 108.874 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.88 -156.35 24.25 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.52 154.69 40.83 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.62 -42.18 82.83 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -60.24 -24.33 64.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.662 1.185 . . . . 0.0 111.971 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -90.36 -55.85 3.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.92 69.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.391 0.676 . . . . 0.0 111.373 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m -65.05 -45.48 85.2 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.414 -0.804 . . . . 0.0 109.428 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -63.45 -35.93 82.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.251 0.62 . . . . 0.0 111.121 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.98 -38.74 69.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.216 0.607 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.39 80.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.298 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.29 -32.28 64.55 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.23 82.72 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.907 -1.12 . . . . 0.0 111.134 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -62.39 -50.71 70.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.211 1.004 . . . . 0.0 110.15 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -31.25 71.65 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.842 -0.536 . . . . 0.0 112.041 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -36.74 84.72 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.935 -0.478 . . . . 0.0 112.203 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -5.58 40.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.568 -0.708 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -107.55 -24.53 11.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.217 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -53.21 -34.04 55.33 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.891 2.477 . . . . 0.0 114.247 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.7 -33.05 67.98 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.43 -24.68 9.17 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.207 0.912 . . . . 0.0 111.706 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -84.26 -19.91 33.09 Favored 'General case' 0 C--O 1.226 -0.143 0 O-C-N 121.28 -0.887 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.04 -171.73 35.95 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.37 160.3 16.35 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 122.473 1.13 . . . . 0.0 109.897 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -134.49 168.8 18.29 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.188 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -133.46 168.61 18.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 127.016 2.126 . . . . 0.0 105.654 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -141.96 158.06 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.143 -0.973 . . . . 0.0 110.397 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -141.75 118.96 11.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 p -82.58 133.96 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.568 1.547 . . . . 0.0 109.726 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.56 162.54 34.83 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.178 1.391 . . . . 0.0 108.772 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' GLY . 73.1 m-20 51.55 48.96 21.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.516 1.126 . . . . 0.0 109.782 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 66.79 -9.73 0.33 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.246 1.819 . . . . 0.0 112.0 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 127.82 -0.84 6.78 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 129.073 3.225 . . . . 0.0 111.622 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -67.55 -16.13 64.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.058 1.429 . . . . 0.0 110.004 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -129.56 130.89 46.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -123.88 132.51 53.76 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.641 1.176 . . . . 0.0 109.215 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -107.65 111.21 23.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mt -116.92 125.0 73.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -126.11 136.71 53.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.069 1.347 . . . . 0.0 107.947 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -103.28 132.12 49.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.481 1.113 . . . . 0.0 109.448 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.5 -59.2 2.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.873 0.869 . . . . 0.0 112.387 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 126.736 2.112 . . . . 0.0 108.786 -179.345 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 120.966 0.412 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 m -136.23 175.28 10.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 127.031 2.132 . . . . 0.0 109.274 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 m -130.7 140.49 50.36 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.547 1.539 . . . . 0.0 106.947 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -124.84 120.09 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HZ3' HG23 ' A' ' 19' ' ' THR . 11.2 tmtt? -91.16 96.12 10.42 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.328 1.451 . . . . 0.0 107.472 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.25 112.38 22.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.822 0.82 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.48 131.14 34.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 103.652 -2.722 . . . . 0.0 103.652 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mt -121.95 124.64 44.51 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.07 100.52 7.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -76.69 152.99 35.54 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.992 1.317 . . . . 0.0 111.623 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.47 74.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.685 1.594 . . . . 0.0 110.9 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.07 -19.92 55.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.264 1.025 . . . . 0.0 111.104 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.3 -10.91 43.47 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.214 1.388 . . . . 0.0 110.092 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -73.98 160.41 31.37 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 118.009 0.905 . . . . 0.0 108.954 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 p -128.64 157.91 40.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -151.94 147.07 26.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.079 1.352 . . . . 0.0 107.671 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.515 HG23 ' HZ3' ' A' ' 7' ' ' LYS . 18.9 m -129.99 133.73 46.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.22 114.81 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.325 1.45 . . . . 0.0 108.192 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -97.24 109.62 22.34 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -92.92 136.66 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -127.41 154.85 44.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.96 1.304 . . . . 0.0 111.264 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.84 -152.24 17.99 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 125.291 1.424 . . . . 0.0 109.69 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 p -67.95 159.13 31.23 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.511 -0.994 . . . . 0.0 109.407 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -53.56 -51.32 63.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.28 1.032 . . . . 0.0 109.966 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.52 -54.54 35.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.808 1.643 . . . . 0.0 111.602 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.74 -63.45 1.29 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.104 1.762 . . . . 0.0 111.026 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.91 68.59 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.451 0.7 . . . . 0.0 112.645 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -68.29 -49.59 59.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.762 -0.586 . . . . 0.0 109.492 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -65.61 -35.34 80.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.34 0.518 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.03 -41.19 91.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.313 1.045 . . . . 0.0 110.818 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.22 91.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.456 0.302 . . . . 0.0 110.283 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -73.07 -32.48 65.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.87 66.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.065 0.946 . . . . 0.0 109.977 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -71.85 -44.22 64.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.01 76.63 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.581 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -35.47 77.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 111.403 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -9.15 52.19 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 110.332 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.2 mt -106.63 -13.75 15.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.882 1.673 . . . . 0.0 111.144 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.11 -28.14 66.25 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.26 1.824 . . . . 0.0 115.869 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.35 -41.65 89.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.182 1.355 . . . . 0.0 113.65 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.15 -22.51 12.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.093 0.86 . . . . 0.0 113.138 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -93.6 -20.64 20.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 -170.38 42.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -66.34 169.45 7.3 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.41 1.1 . . . . 0.0 111.525 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -151.38 173.42 14.54 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.581 1.553 . . . . 0.0 109.486 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 p -132.29 167.41 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.5 132.56 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 122.087 -0.383 . . . . 0.0 111.631 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.97 141.18 37.79 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -104.27 112.29 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.87 174.03 8.22 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.981 1.313 . . . . 0.0 111.116 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 45.63 57.21 5.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.604 1.962 . . . . 0.0 110.019 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 57.87 1.42 0.14 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.62 14.25 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.074 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -108.9 -8.39 15.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.236 1.518 . . . . 0.0 112.56 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.6 m -126.27 103.19 7.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 120.076 1.307 . . . . 0.0 107.755 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.6 mt -93.82 131.58 39.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.72 95.59 5.41 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.7 mt -97.25 129.85 46.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.22 124.85 31.46 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.57 127.61 33.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.352 0.661 . . . . 0.0 110.256 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.05 -59.05 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.73 1.612 . . . . 0.0 108.666 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 122.917 0.294 . . . . 0.0 113.447 179.469 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.235 0.33 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.79 172.59 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 127.102 2.161 . . . . 0.0 107.323 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -126.63 133.49 50.99 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.08 132.65 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -110.9 139.57 46.12 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.43 119.16 31.28 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.691 0.797 . . . . 0.0 110.173 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -84.77 131.07 34.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -111.98 115.01 28.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.69 105.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -85.49 159.17 19.99 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.109 0.564 . . . . 0.0 112.375 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.62 68.64 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -71.63 6.82 1.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.466 1.906 . . . . 0.0 111.905 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.57 -15.46 7.53 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 120.07 -1.644 . . . . 0.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 p -72.06 159.54 34.01 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.666 1.586 . . . . 0.0 109.691 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 p -133.24 155.49 49.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.774 0.83 . . . . 0.0 109.778 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -152.26 146.93 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.71 2.004 . . . . 0.0 106.176 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -122.12 137.96 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.3 150.41 43.59 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -137.39 144.77 42.62 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.73 147.15 40.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.691 1.596 . . . . 0.0 108.169 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -129.54 148.92 51.49 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.447 2.299 . . . . 0.0 107.198 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.58 -155.83 24.97 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.4 p -69.57 162.66 27.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.27 -48.57 80.05 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.16 -51.22 70.53 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.837 1.255 . . . . 0.0 111.267 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -62.87 -58.99 5.5 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.576 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -42.19 62.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.745 0.702 . . . . 0.0 111.071 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -61.77 -48.94 78.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -63.01 -35.13 79.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.21 0.604 . . . . 0.0 112.187 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.66 -41.75 99.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.398 0.999 . . . . 0.0 109.905 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.26 77.36 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.125 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -74.28 -31.33 62.49 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.163 -0.336 . . . . 0.0 110.33 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.9 89.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -64.99 -48.79 72.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.074 0.949 . . . . 0.0 108.482 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.39 70.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 111.677 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -36.35 82.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.152 1.381 . . . . 0.0 112.111 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -34.65 78.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.689 -0.632 . . . . 0.0 110.357 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -83.33 -15.22 50.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.865 1.266 . . . . 0.0 112.819 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -57.71 -27.75 63.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.502 1.521 . . . . 0.0 113.804 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.23 -61.15 1.98 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.736 1.153 . . . . 0.0 111.478 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.27 -17.85 47.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -104.96 -14.26 15.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.174 0.897 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.98 -164.83 32.69 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 119.266 0.939 . . . . 0.0 114.46 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.93 162.62 6.72 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 122.092 0.948 . . . . 0.0 110.236 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -147.02 154.25 40.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.475 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.4 p -141.98 118.73 11.09 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 127.319 2.248 . . . . 0.0 108.16 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -94.69 143.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.73 141.61 45.13 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.87 126.02 46.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 109.62 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.85 152.46 47.84 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 50.87 42.06 27.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.869 1.268 . . . . 0.0 110.358 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 65.97 -1.41 1.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.714 2.006 . . . . 0.0 113.062 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.0 5.52 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 126.333 1.921 . . . . 0.0 110.463 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -62.28 -12.88 23.13 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 119.727 1.763 . . . . 0.0 111.811 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -129.27 101.88 6.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -96.55 112.13 23.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -94.45 91.06 6.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.0 mt -88.78 101.91 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.804 1.641 . . . . 0.0 109.295 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -103.34 137.1 41.92 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.625 1.97 . . . . 0.0 112.417 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.47 138.46 34.87 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.638 1.175 . . . . 0.0 111.873 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.45 -16.09 33.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.246 0.618 . . . . 0.0 111.367 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -178.396 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.2 m -138.34 162.93 29.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 124.773 1.229 . . . . 0.0 108.213 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -108.32 118.62 37.24 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.401 1.08 . . . . 0.0 108.36 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -106.02 121.22 58.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -91.37 135.04 34.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.78 118.63 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -97.87 116.2 29.61 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -115.97 103.47 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.898 0.879 . . . . 0.0 109.929 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.81 125.83 45.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.06 151.48 19.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.6 50.79 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -90.35 16.13 9.32 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.967 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.98 -5.94 80.92 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.575 1.083 . . . . 0.0 113.633 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -99.64 175.78 5.7 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 118.748 1.274 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -145.89 172.4 13.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.392 1.077 . . . . 0.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.97 137.21 18.45 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -134.21 138.54 45.17 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.29 162.08 36.39 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.649 0.78 . . . . 0.0 111.689 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.57 109.16 7.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -102.47 144.47 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.28 167.42 16.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 123.444 0.697 . . . . 0.0 111.526 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.02 -158.34 20.93 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 p -64.17 158.79 22.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -50.46 -51.26 48.55 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.279 1.032 . . . . 0.0 111.938 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.23 -35.29 80.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -69.41 -52.92 22.28 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 119.244 0.929 . . . . 0.0 110.413 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -26.14 68.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 118.464 -1.294 . . . . 0.0 110.727 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -66.21 -54.61 23.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -62.4 -35.43 79.17 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.27 -44.71 96.79 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 119.073 0.851 . . . . 0.0 110.473 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.19 90.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.67 -30.85 63.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.421 -0.8 . . . . 0.0 111.601 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.31 78.29 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.594 1.558 . . . . 0.0 109.361 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.2 -45.82 68.98 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.124 0.969 . . . . 0.0 109.842 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -31.86 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.41 -0.806 . . . . 0.0 110.89 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.78 -36.89 83.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.842 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -76.84 7.74 4.45 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.399 1.0 . . . . 0.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.95 -10.22 7.7 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.39 1.876 . . . . 0.0 109.996 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -64.34 -20.91 66.41 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.852 1.661 . . . . 0.0 114.84 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -84.27 -35.7 23.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.399 0.999 . . . . 0.0 111.672 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -92.21 -16.85 25.66 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.477 0.711 . . . . 0.0 112.586 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -117.23 -11.58 10.63 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.69 -173.05 39.73 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 121.812 0.673 . . . . 0.0 112.559 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -64.75 162.84 15.18 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.3 p-90 -141.58 158.2 44.13 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.804 0.812 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -113.12 158.14 20.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.1 147.8 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.48 136.24 46.56 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.54 105.8 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.519 1.528 . . . . 0.0 107.249 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.0 -178.29 4.13 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.786 1.235 . . . . 0.0 109.436 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 42.2 59.22 2.71 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.337 2.255 . . . . 0.0 111.718 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 53.0 17.06 0.82 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.41 7.64 48.49 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 120.916 -1.115 . . . . 0.0 111.938 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.83 -10.44 19.09 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.977 1.388 . . . . 0.0 112.585 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.2 m -131.67 119.34 21.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 120.483 1.492 . . . . 0.0 108.506 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -104.8 131.08 52.7 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.085 1.354 . . . . 0.0 107.899 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -107.17 97.46 7.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.82 132.38 45.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -131.44 130.3 42.34 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 121.072 -1.017 . . . . 0.0 109.587 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.35 141.71 29.0 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 -17.98 15.06 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -178.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mmt . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -146.26 131.08 18.04 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 105.223 -2.14 . . . . 0.0 105.223 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -146.3 -177.29 5.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 127.404 2.282 . . . . 0.0 109.394 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -143.43 174.86 4.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 123.954 0.902 . . . . 0.0 111.187 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 m -129.11 133.68 47.75 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.1 mt -118.79 132.6 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -110.47 109.52 19.91 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.451 1.1 . . . . 0.0 109.476 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.46 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -106.75 121.47 44.44 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 103.148 -2.908 . . . . 0.0 103.148 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mp -111.17 121.86 46.38 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.97 109.89 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 126.407 1.883 . . . . 0.0 106.873 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -83.33 155.45 23.55 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.199 0.6 . . . . 0.0 111.811 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.29 -24.45 65.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.496 0.318 . . . . 0.0 110.764 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -66.73 -27.59 67.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.09 0.956 . . . . 0.0 109.456 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 115.34 -12.26 19.16 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 126.023 1.773 . . . . 0.0 112.983 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.03 170.17 13.41 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 118.641 1.221 . . . . 0.0 109.858 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.86 160.11 39.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 123.779 0.832 . . . . 0.0 109.352 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.05 145.94 25.17 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 126.106 1.762 . . . . 0.0 107.157 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.81 138.47 54.63 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.87 117.3 12.85 Favored 'General case' 0 CA--C 1.515 -0.376 0 O-C-N 121.668 -0.645 . . . . 0.0 109.274 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -96.49 133.34 41.07 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -122.04 144.06 49.13 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 125.921 1.688 . . . . 0.0 106.642 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -127.6 148.83 50.36 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 124.245 1.018 . . . . 0.0 108.613 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.35 -161.4 26.06 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 109.045 -1.622 . . . . 0.0 109.045 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.4 p -67.32 163.99 19.44 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.647 -0.913 . . . . 0.0 109.784 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -53.62 -40.66 65.96 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.414 1.486 . . . . 0.0 110.416 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -73.52 -46.28 48.7 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.237 1.415 . . . . 0.0 111.977 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -54.62 36.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.402 1.081 . . . . 0.0 111.585 -178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.05 -40.24 66.95 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.53 0.604 . . . . 0.0 111.388 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.7 m -68.22 -44.62 75.33 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.679 0.672 . . . . 0.0 109.644 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.9 t -60.19 -36.17 77.03 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.299 0.64 . . . . 0.0 110.979 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.98 -37.65 66.95 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.714 0.806 . . . . 0.0 110.605 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.53 -40.03 93.17 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -72.99 -29.41 63.01 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 119.24 -0.41 . . . . 0.0 109.917 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.99 -49.3 70.79 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 119.475 1.034 . . . . 0.0 109.271 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.77 -46.82 87.98 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.71 -38.36 90.83 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.588 -0.695 . . . . 0.0 111.039 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.51 -37.36 87.26 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 117.79 -1.1 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.36 -37.47 77.65 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.4 mt -71.32 -17.05 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.965 0.506 . . . . 0.0 112.263 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.06 -23.22 61.84 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.785 0.834 . . . . 0.0 113.187 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -72.58 -39.64 67.22 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.643 1.11 . . . . 0.0 112.51 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -103.52 -3.13 25.71 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -125.66 -9.71 6.77 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.181 0.992 . . . . 0.0 112.622 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.96 -178.02 53.7 Favored Glycine 0 C--N 1.334 0.426 0 CA-C-O 121.836 0.687 . . . . 0.0 113.149 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.5 153.47 15.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 114.608 -0.796 . . . . 0.0 109.802 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 34.7 p-90 -137.6 167.56 21.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 122.434 1.112 . . . . 0.0 111.426 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.3 p -123.3 158.42 31.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 104.951 -2.24 . . . . 0.0 104.951 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -141.09 144.97 25.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.92 141.79 51.44 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.54 1.136 . . . . 0.0 110.459 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.49 120.03 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 125.339 1.456 . . . . 0.0 109.367 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.57 164.27 26.2 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 124.781 1.232 . . . . 0.0 108.185 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 45.24 53.21 8.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.558 1.543 . . . . 0.0 110.632 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 57.07 18.72 4.21 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.722 1.609 . . . . 0.0 114.663 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.77 -13.73 45.96 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 125.507 1.527 . . . . 0.0 112.501 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -72.43 -12.96 61.32 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.316 1.058 . . . . 0.0 111.513 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 53.8 m -127.79 129.09 46.44 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.061 -1.829 . . . . 0.0 106.061 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.1 mt -122.74 131.52 53.82 Favored 'General case' 0 CA--C 1.513 -0.455 0 C-N-CA 123.693 0.797 . . . . 0.0 108.919 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -108.92 120.83 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -123.34 122.23 64.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -121.14 127.64 51.76 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -85.49 125.78 33.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 105.996 -1.853 . . . . 0.0 105.996 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.28 58.57 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.392 1.077 . . . . 0.0 111.245 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 C-N-CA 125.66 1.6 . . . . 0.0 110.68 -179.76 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -129.93 107.98 9.77 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -134.7 163.27 30.14 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.444 1.098 . . . . 0.0 110.383 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.62 173.78 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 128.207 2.603 . . . . 0.0 108.13 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.5 m -135.41 100.74 4.6 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.029 0.932 . . . . 0.0 109.221 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.0 mt -92.51 131.99 38.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -102.32 138.11 39.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 126.984 2.114 . . . . 0.0 109.16 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.71 119.67 32.45 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.792 1.237 . . . . 0.0 109.716 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -98.61 116.77 31.56 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.76 104.36 14.65 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.301 1.44 . . . . 0.0 108.383 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -95.46 103.01 14.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -77.62 157.7 30.12 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.388 -0.82 . . . . 0.0 111.692 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.08 92.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.303 0.641 . . . . 0.0 109.818 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -63.36 -7.67 7.01 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.928 2.091 . . . . 0.0 114.253 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.32 -17.74 58.09 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.837 1.208 . . . . 0.0 114.703 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -76.58 174.87 9.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.606 1.703 . . . . 0.0 107.048 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.0 p -143.81 162.96 34.7 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.499 1.12 . . . . 0.0 109.874 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -150.13 145.64 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 105.022 -2.214 . . . . 0.0 105.022 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -133.28 138.33 46.38 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.54 163.9 32.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -135.33 153.28 51.9 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -133.7 134.83 43.54 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 127.063 2.145 . . . . 0.0 106.852 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -116.14 140.84 48.88 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.609 1.164 . . . . 0.0 108.527 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.12 -156.06 26.81 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 108.643 -1.783 . . . . 0.0 108.643 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.53 159.38 34.57 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -56.22 -45.59 79.84 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.693 -0.63 . . . . 0.0 110.243 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -70.73 -11.9 61.22 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.675 1.19 . . . . 0.0 112.076 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -62.66 1.45 Allowed 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -40.74 84.76 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 124.558 1.143 . . . . 0.0 113.494 -178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m -64.5 -45.68 86.25 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -66.91 -36.37 82.1 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.512 1.125 . . . . 0.0 112.44 -179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.48 -31.96 60.41 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.243 -0.911 . . . . 0.0 110.047 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.42 83.09 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.98 -30.9 64.16 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 118.89 -0.576 . . . . 0.0 110.36 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.41 77.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -61.39 -41.17 96.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.086 0.954 . . . . 0.0 110.345 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.6 82.29 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -65.58 -36.17 82.97 Favored 'General case' 0 CA--C 1.523 -0.074 0 O-C-N 121.044 -1.035 . . . . 0.0 112.896 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -67.56 -37.62 82.91 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 119.508 1.049 . . . . 0.0 108.947 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -70.8 -18.15 62.75 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.315 1.046 . . . . 0.0 113.189 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -54.81 -25.4 28.03 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.952 1.301 . . . . 0.0 111.961 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -51.56 -37.21 48.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.875 2.07 . . . . 0.0 112.55 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -126.84 -17.65 4.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.065 0.946 . . . . 0.0 112.281 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -96.49 -8.8 31.15 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.76 -170.56 51.21 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 119.306 0.957 . . . . 0.0 113.282 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -57.61 158.06 6.43 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.723 1.209 . . . . 0.0 110.542 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 40.5 p-90 -151.43 164.37 36.88 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.091 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.6 p -134.36 172.77 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.841 1.656 . . . . 0.0 107.528 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -135.61 153.2 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 124.284 1.034 . . . . 0.0 108.868 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.34 116.19 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.4 t -83.55 111.03 19.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 125.554 1.542 . . . . 0.0 108.767 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -131.78 173.72 10.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.735 1.214 . . . . 0.0 110.529 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 52.42 36.22 19.49 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.986 1.714 . . . . 0.0 110.831 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 67.44 21.84 9.53 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.24 2.216 . . . . 0.0 111.101 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.14 -1.9 63.16 Favored Glycine 0 CA--C 1.522 0.504 0 C-N-CA 125.418 1.485 . . . . 0.0 111.612 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -81.34 -9.76 59.68 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.541 1.671 . . . . 0.0 111.885 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.5 m -134.46 121.18 20.71 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.716 -1.957 . . . . 0.0 105.716 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -110.22 127.28 54.88 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.832 1.653 . . . . 0.0 107.55 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -108.73 99.19 8.58 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.9 mt -95.89 132.88 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 125.745 1.618 . . . . 0.0 107.063 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -131.03 136.18 48.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.53 150.04 24.96 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.357 1.063 . . . . 0.0 110.394 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.44 -13.32 18.76 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.443 1.497 . . . . 0.0 113.855 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 108.428 -1.869 . . . . 0.0 108.428 -178.232 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -159.52 117.9 2.8 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -96.74 177.68 5.57 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.292 1.437 . . . . 0.0 107.449 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.69 167.57 12.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 C-N-CA 124.559 1.144 . . . . 0.0 108.017 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 m -132.91 101.29 5.19 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 104.915 -2.254 . . . . 0.0 104.915 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.5 124.85 48.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.497 1.119 . . . . 0.0 108.194 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -91.64 140.03 30.12 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.29 111.7 17.69 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -86.8 120.63 28.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mt -113.06 117.73 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.13 114.19 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -79.84 147.75 31.63 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.842 0.829 . . . . 0.0 110.343 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -22.47 61.7 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.695 1.198 . . . . 0.0 108.9 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -66.13 -23.63 66.52 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.129 0.571 . . . . 0.0 111.328 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.58 -17.73 7.31 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 125.334 1.445 . . . . 0.0 113.484 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.3 p -85.05 172.09 11.55 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.119 1.459 . . . . 0.0 113.095 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.5 p -136.09 156.76 48.24 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 125.289 1.436 . . . . 0.0 108.831 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -151.55 146.51 25.92 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.535 1.934 . . . . 0.0 107.241 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -123.16 138.61 54.61 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.21 156.14 49.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.606 1.563 . . . . 0.0 107.276 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -134.96 132.8 38.82 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -118.5 130.24 55.82 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 125.265 1.426 . . . . 0.0 109.068 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -114.78 157.56 23.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.918 1.287 . . . . 0.0 108.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.7 -165.04 21.68 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.3 p -70.98 170.42 12.81 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 118.116 0.958 . . . . 0.0 108.558 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -55.99 -47.73 77.18 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 122.189 -0.319 . . . . 0.0 110.514 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -60.91 -44.92 96.5 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.615 1.166 . . . . 0.0 111.226 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.2 -63.87 1.11 Allowed 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.854 1.262 . . . . 0.0 111.132 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.95 -36.87 63.29 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.963 0.905 . . . . 0.0 111.729 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.4 m -63.59 -53.42 51.86 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.034 0.533 . . . . 0.0 110.572 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -62.8 -36.5 83.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.846 0.458 . . . . 0.0 111.812 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -69.68 -36.26 75.84 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.76 -0.587 . . . . 0.0 110.61 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.32 97.22 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.03 0.377 . . . . 0.0 110.785 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.79 -31.67 65.03 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.306 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.86 84.07 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -59.94 -37.31 79.16 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.347 0.659 . . . . 0.0 110.734 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.01 -43.75 51.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -60.29 -36.73 78.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.063 0.945 . . . . 0.0 112.055 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.5 t -71.24 -8.56 54.44 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 120.941 -1.099 . . . . 0.0 112.047 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.7 mt -108.63 -17.82 13.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.28 1.832 . . . . 0.0 109.574 178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -59.55 -21.27 60.02 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 126.749 2.02 . . . . 0.0 112.596 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -73.09 -32.56 65.06 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 119.73 1.15 . . . . 0.0 112.02 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -101.85 -19.89 15.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 118.866 0.757 . . . . 0.0 112.567 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -102.01 -15.82 16.66 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.28 -176.52 46.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.09 165.8 1.78 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.532 1.158 . . . . 0.0 112.111 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 13.0 p-90 -142.42 163.55 32.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.541 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -121.26 157.67 29.79 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.2 143.4 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -120.79 141.31 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 124.956 1.302 . . . . 0.0 108.295 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -102.37 111.53 32.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -123.82 179.6 4.75 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.103 1.761 . . . . 0.0 111.992 -178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 48.29 51.17 15.42 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 126.042 1.737 . . . . 0.0 109.878 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 56.38 10.33 0.65 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.137 1.775 . . . . 0.0 114.142 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.58 -9.4 12.98 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 126.291 1.9 . . . . 0.0 113.155 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -82.63 -7.5 59.64 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.193 1.497 . . . . 0.0 113.465 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.1 m -135.48 129.96 33.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 120.357 1.435 . . . . 0.0 109.199 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.7 131.26 56.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 125.945 1.698 . . . . 0.0 106.916 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -110.81 91.87 3.83 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 20.1 mt -90.21 127.23 42.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 125.864 1.666 . . . . 0.0 108.904 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -128.84 122.12 29.75 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 124.279 1.032 . . . . 0.0 110.22 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -79.84 153.19 29.26 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.6 0.55 11.01 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.835 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -179.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 120.977 0.418 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -127.79 94.64 4.0 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -126.5 161.99 26.68 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 m -148.86 175.01 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 127.521 2.328 . . . . 0.0 107.227 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.1 m -127.33 103.8 7.58 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.429 1.091 . . . . 0.0 109.348 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.7 mt -90.01 121.21 39.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 124.888 1.275 . . . . 0.0 108.311 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -96.96 127.05 42.55 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.86 111.61 23.41 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -87.5 113.06 22.86 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 104.392 -2.447 . . . . 0.0 104.392 179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.07 103.73 13.01 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.805 0.73 . . . . 0.0 110.13 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.35 123.01 44.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -89.69 151.82 21.67 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 124.27 1.028 . . . . 0.0 109.683 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -21.39 64.73 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.446 1.098 . . . . 0.0 110.654 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -73.99 9.97 1.36 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.996 1.719 . . . . 0.0 112.098 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.33 18.08 79.15 Favored Glycine 0 CA--C 1.527 0.823 0 O-C-N 120.22 -1.55 . . . . 0.0 109.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.5 m -111.96 174.92 5.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.909 1.683 . . . . 0.0 109.184 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -148.48 157.71 43.65 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.413 -0.804 . . . . 0.0 111.885 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -151.85 146.19 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.839 2.056 . . . . 0.0 106.081 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 m -134.33 138.5 44.97 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.513 1.051 . . . . 0.0 108.262 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.47 154.25 40.79 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 125.612 1.565 . . . . 0.0 106.985 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.75 108.46 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -95.85 152.03 18.87 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.531 1.132 . . . . 0.0 109.334 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -131.51 147.0 52.5 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.666 0.786 . . . . 0.0 108.897 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.85 -160.66 26.67 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 107.431 -2.267 . . . . 0.0 107.431 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.2 p -65.37 159.56 23.83 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -51.69 -51.61 54.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.944 0.898 . . . . 0.0 111.2 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -68.89 -40.17 79.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.615 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -60.05 -50.23 74.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.05 86.31 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.536 0.734 . . . . 0.0 111.477 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.2 m -60.56 -42.81 97.35 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -63.24 -35.57 80.78 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.128 0.571 . . . . 0.0 110.211 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -67.8 -42.14 82.06 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 119.05 0.841 . . . . 0.0 110.374 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.05 -40.83 86.32 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.629 0.65 . . . . 0.0 110.869 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -73.15 -31.28 64.17 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 119.349 -0.358 . . . . 0.0 110.316 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.94 72.09 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -60.1 -46.51 89.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 125.06 1.344 . . . . 0.0 108.585 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.03 92.59 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.238 -0.914 . . . . 0.0 109.935 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.47 -34.84 79.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.712 -1.243 . . . . 0.0 110.965 178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -16.27 43.81 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.918 1.287 . . . . 0.0 111.348 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.5 mt -111.6 -8.28 14.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.867 1.667 . . . . 0.0 112.814 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -77.57 66.59 3.32 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 129.058 2.943 . . . . 0.0 106.567 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -155.97 -81.36 0.07 Allowed 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 102.941 -2.985 . . . . 0.0 102.941 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.17 -10.41 59.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -113.32 -17.28 12.33 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.273 -0.87 . . . . 0.0 113.047 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.87 -163.25 33.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 119.442 1.019 . . . . 0.0 111.273 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.14 168.66 11.69 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.724 0.773 . . . . 0.0 111.099 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.2 p-90 -145.41 161.36 39.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.411 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.5 p -128.05 148.58 50.56 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 127.182 2.193 . . . . 0.0 105.909 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.1 150.72 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.082 0.953 . . . . 0.0 109.964 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -127.17 122.24 33.56 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 125.966 1.706 . . . . 0.0 107.506 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.3 t -83.09 103.14 9.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 N-CA-C 104.703 -2.332 . . . . 0.0 104.703 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.99 169.14 10.77 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.095 0.958 . . . . 0.0 112.533 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 t0 48.62 56.29 7.8 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.389 1.876 . . . . 0.0 111.238 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 58.36 17.72 4.98 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.777 1.231 . . . . 0.0 111.397 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.82 4.82 60.17 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.766 1.65 . . . . 0.0 112.016 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -82.13 -22.01 36.38 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-N 119.364 1.582 . . . . 0.0 110.389 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 94.4 m -121.53 122.04 38.82 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.6 mt -109.48 110.45 21.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.4 107.27 19.09 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.65 138.69 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.803 0.841 . . . . 0.0 109.08 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.07 136.44 48.44 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 125.847 1.659 . . . . 0.0 109.541 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -98.18 154.04 18.04 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.418 1.008 . . . . 0.0 108.768 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.1 -19.09 15.93 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.668 0.787 . . . . 0.0 112.514 179.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.9 mtm . . . . . 0 N--CA 1.473 0.706 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -131.05 118.91 21.24 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -139.12 160.02 40.78 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 126.465 1.906 . . . . 0.0 107.756 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 m -119.36 174.86 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.265 1.426 . . . . 0.0 108.871 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 50.2 m -136.9 107.55 6.56 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.5 mt -96.76 126.26 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -91.91 128.93 37.94 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.46 21.36 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -93.02 123.65 36.42 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 104.508 -2.404 . . . . 0.0 104.508 178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.36 103.74 12.96 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 125.613 1.565 . . . . 0.0 107.448 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -96.6 105.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -75.09 151.97 38.6 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.85 -23.22 65.13 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -80.85 -6.41 58.55 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.274 1.029 . . . . 0.0 112.989 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.74 -23.81 16.49 Favored Glycine 0 CA--C 1.528 0.887 0 CA-C-O 118.721 -1.044 . . . . 0.0 112.298 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.5 m -61.02 154.0 23.82 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.623 1.211 . . . . 0.0 109.236 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -141.58 130.99 23.71 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -138.91 145.47 39.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -134.35 139.78 45.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 119.019 0.827 . . . . 0.0 110.796 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.95 161.15 27.28 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.906 2.082 . . . . 0.0 107.699 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -134.28 109.3 8.74 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -97.1 151.6 19.61 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -131.17 167.49 19.06 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.606 1.162 . . . . 0.0 111.509 -177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 118.4 -159.73 14.2 Favored Glycine 0 C--N 1.331 0.301 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.37 161.3 20.02 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.04 -53.23 28.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.251 1.42 . . . . 0.0 110.727 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -64.99 -30.36 71.35 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -68.53 -61.7 1.71 Allowed 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 123.362 0.665 . . . . 0.0 109.572 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.74 -30.88 64.0 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.327 0.392 . . . . 0.0 111.398 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.7 m -68.56 -48.83 63.23 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 t -60.77 -35.77 77.26 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.289 0.636 . . . . 0.0 111.054 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -62.86 -41.94 99.56 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.919 0.781 . . . . 0.0 110.511 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -43.8 98.17 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 117.796 0.271 . . . . 0.0 111.008 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -72.48 -31.05 65.08 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 117.996 0.362 . . . . 0.0 110.244 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.95 -42.31 81.15 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.312 1.045 . . . . 0.0 109.731 178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -67.57 -41.19 84.57 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.652 1.181 . . . . 0.0 110.109 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -44.38 83.91 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.725 0.81 . . . . 0.0 110.739 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -63.77 -36.66 84.62 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.226 -0.921 . . . . 0.0 112.764 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -74.25 0.93 12.62 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -121.62 -6.71 9.16 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.0 1.32 . . . . 0.0 111.328 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -57.39 -23.82 51.63 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 126.202 1.801 . . . . 0.0 113.253 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.73 -64.83 0.81 Allowed 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 118.946 0.794 . . . . 0.0 110.556 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.07 -16.64 56.48 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 126.119 1.768 . . . . 0.0 114.818 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -110.24 -12.29 14.47 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.79 -178.0 52.3 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.654 -0.579 . . . . 0.0 111.654 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -62.62 165.77 6.04 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.548 0.69 . . . . 0.0 110.742 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -148.66 167.39 25.61 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.9 p -138.13 145.67 41.88 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 125.492 1.517 . . . . 0.0 108.571 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.5 t -117.48 151.45 19.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.14 140.59 52.44 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.689 1.596 . . . . 0.0 107.659 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.8 t -90.94 102.9 13.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 C-N-CA 125.643 1.577 . . . . 0.0 109.845 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.19 164.23 14.79 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.035 0.934 . . . . 0.0 108.885 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 48.84 52.05 14.83 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.092 1.357 . . . . 0.0 111.094 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 59.7 4.29 0.54 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.29 1.436 . . . . 0.0 114.06 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.23 -16.58 8.64 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 127.265 2.364 . . . . 0.0 111.292 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -67.5 -9.47 42.5 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.189 1.495 . . . . 0.0 112.888 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 96.0 m -132.29 124.72 29.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.42 111.0 20.73 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -90.25 100.03 12.94 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mt -92.52 129.53 42.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -130.2 134.38 47.23 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.642 1.177 . . . . 0.0 108.816 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -97.34 156.11 16.59 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.23 -9.05 16.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.063 1.345 . . . . 0.0 112.956 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.427 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.0 mtt . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -139.88 113.52 8.61 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -121.23 171.39 8.75 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.54 2.336 . . . . 0.0 110.679 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -127.73 174.68 10.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 125.507 1.523 . . . . 0.0 111.541 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.2 m -127.34 133.88 50.03 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.35 120.03 60.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 126.552 1.941 . . . . 0.0 108.256 -178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -91.57 123.23 34.82 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.255 2.222 . . . . 0.0 110.392 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.05 115.05 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 119.667 1.121 . . . . 0.0 110.086 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -87.47 110.72 20.51 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.24 115.17 27.82 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -113.37 99.65 9.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -76.97 150.32 35.9 Favored 'General case' 0 C--O 1.232 0.166 0 C-N-CA 123.304 0.641 . . . . 0.0 110.286 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.07 -12.1 61.38 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.333 1.053 . . . . 0.0 112.303 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -75.92 -22.28 56.19 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.353 -0.842 . . . . 0.0 111.039 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.76 -22.69 9.84 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 125.657 1.599 . . . . 0.0 109.765 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -67.9 154.89 40.6 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.45 1.9 . . . . 0.0 109.641 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 p -136.93 159.73 41.01 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.608 -0.683 . . . . 0.0 110.083 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -152.59 146.45 25.21 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 125.843 1.657 . . . . 0.0 107.467 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -126.75 138.72 53.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.898 -1.89 . . . . 0.0 105.898 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.81 155.0 48.54 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 125.893 1.677 . . . . 0.0 107.578 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -135.69 109.16 7.9 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.26 153.16 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -131.27 161.89 31.27 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.684 0.794 . . . . 0.0 110.883 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.05 -160.05 22.81 Favored Glycine 0 C--N 1.332 0.33 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -65.3 164.99 12.41 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -53.91 -45.94 71.31 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -64.68 -52.82 55.19 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 118.687 -0.673 . . . . 0.0 111.17 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -52.77 -58.59 6.39 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.747 0.819 . . . . 0.0 111.814 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -34.8 70.38 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 122.68 0.392 . . . . 0.0 111.586 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.6 m -68.81 -50.12 52.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -61.05 -35.62 77.4 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 118.712 -0.661 . . . . 0.0 111.56 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -68.04 -43.16 79.33 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.9 0.88 . . . . 0.0 109.734 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.67 96.13 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 122.111 -0.368 . . . . 0.0 110.68 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.4 m-30 -73.65 -31.53 63.55 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.337 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.04 -45.17 90.03 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 124.33 1.052 . . . . 0.0 109.192 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -65.1 -45.28 85.81 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.927 -0.483 . . . . 0.0 110.074 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.27 69.34 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.133 -0.98 . . . . 0.0 111.878 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -64.72 -36.32 83.91 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.454 -0.779 . . . . 0.0 112.443 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -70.85 -37.04 73.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.656 1.116 . . . . 0.0 109.164 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -67.38 -26.23 66.35 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 123.7 0.8 . . . . 0.0 112.641 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -54.02 -27.06 29.61 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.011 1.324 . . . . 0.0 113.836 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -64.17 -62.39 1.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.107 0.867 . . . . 0.0 113.145 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -81.36 -23.62 37.59 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -92.09 -25.8 18.59 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 116.689 -1.624 . . . . 0.0 114.582 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.2 -176.86 25.93 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.99 1.757 . . . . 0.0 111.524 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.18 158.52 19.75 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-O 122.214 1.007 . . . . 0.0 111.049 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.4 p-90 -132.01 174.99 9.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 122.057 0.932 . . . . 0.0 110.345 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.8 p -137.46 161.96 34.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.23 2.612 . . . . 0.0 105.726 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.3 p -145.09 155.17 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 111.76 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -141.89 142.47 33.08 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 127.602 2.361 . . . . 0.0 106.3 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.3 p -121.17 134.52 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.026 1.33 . . . . 0.0 109.461 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.87 -176.6 4.73 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 126.699 2.0 . . . . 0.0 109.336 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 52.14 41.66 30.2 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.809 2.044 . . . . 0.0 112.001 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 63.86 17.67 10.67 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.047 1.739 . . . . 0.0 112.627 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.67 29.17 6.0 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -120.4 -8.75 9.57 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.252 1.026 . . . . 0.0 111.054 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.1 m -128.27 120.67 27.59 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.7 mt -117.9 132.18 56.45 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 126.506 1.922 . . . . 0.0 107.859 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -113.71 117.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -120.21 107.2 20.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -110.96 136.28 50.2 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.486 0.714 . . . . 0.0 109.238 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -93.72 151.69 19.47 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.986 1.714 . . . . 0.0 108.568 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.5 -52.79 3.52 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.376 0 C-N-CA 127.487 2.47 . . . . 0.0 110.335 179.828 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -151.2 136.43 17.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.011 0.924 . . . . 0.0 108.776 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -156.67 168.7 26.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.6 2.36 . . . . 0.0 109.688 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 m -132.49 174.72 12.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 128.246 2.618 . . . . 0.0 107.845 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 m -129.5 124.55 34.25 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.8 mt -115.73 126.25 73.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -98.35 138.87 34.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.51 116.31 25.82 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.37 1.068 . . . . 0.0 108.779 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -89.07 111.45 22.19 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 103.108 -2.923 . . . . 0.0 103.108 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.07 127.5 50.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -124.33 104.98 14.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -85.23 146.76 26.92 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.43 -19.43 64.59 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -63.0 -21.74 66.36 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 127.089 2.156 . . . . 0.0 111.184 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.67 -39.89 2.49 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.818 1.199 . . . . 0.0 112.537 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 m -71.24 163.55 27.42 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.037 1.418 . . . . 0.0 110.905 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -126.07 161.8 26.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 127.648 2.379 . . . . 0.0 106.69 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -152.71 146.24 24.96 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.737 0.815 . . . . 0.0 108.865 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -118.36 138.23 52.56 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.58 143.37 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -133.22 114.39 13.76 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -112.15 154.85 24.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 124.734 1.214 . . . . 0.0 110.332 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -131.25 167.15 19.69 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 123.924 0.89 . . . . 0.0 110.837 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.98 -166.19 19.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 125.575 1.56 . . . . 0.0 109.528 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.2 p -65.2 170.43 4.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.086 1.443 . . . . 0.0 108.459 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.7 -54.99 25.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.833 0.453 . . . . 0.0 111.089 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.7 -31.51 72.77 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 118.989 0.813 . . . . 0.0 111.685 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -56.94 12.85 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.218 0.607 . . . . 0.0 109.784 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -35.98 79.13 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.98 0.512 . . . . 0.0 110.281 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -62.38 -52.55 63.17 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.7 t -58.9 -36.54 74.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 124.526 1.131 . . . . 0.0 111.031 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.05 -44.91 62.6 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-N 119.479 1.036 . . . . 0.0 110.598 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.36 97.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 118.248 0.476 . . . . 0.0 110.493 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -73.69 -31.62 63.52 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 119.187 -0.435 . . . . 0.0 110.677 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.97 75.32 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 119.185 0.902 . . . . 0.0 108.672 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -66.1 -30.02 70.46 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.185 0.594 . . . . 0.0 110.422 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.26 -36.03 61.31 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.488 -1.383 . . . . 0.0 109.134 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -62.23 -36.26 81.45 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.44 1.096 . . . . 0.0 112.241 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -71.77 -6.67 43.14 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.334 -0.854 . . . . 0.0 112.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.8 mt -114.05 -4.99 13.12 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.021 1.328 . . . . 0.0 111.557 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -59.58 -30.89 68.97 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.471 1.908 . . . . 0.0 113.483 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.32 -58.24 5.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 120.101 1.319 . . . . 0.0 112.154 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.54 -17.33 60.11 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -114.19 -15.09 12.25 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.48 -172.41 33.01 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -65.48 164.2 14.42 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -142.59 143.71 32.55 Favored 'General case' 0 N--CA 1.446 -0.675 0 O-C-N 121.82 -0.55 . . . . 0.0 109.846 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.2 p -93.59 168.54 10.96 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.279 14.6 p -147.25 126.95 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 O-C-N 121.56 -0.712 . . . . 0.0 109.112 177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -121.65 133.67 54.97 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.73 1.212 . . . . 0.0 108.531 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.75 134.59 26.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 124.324 1.05 . . . . 0.0 112.275 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.32 173.22 11.84 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.596 1.558 . . . . 0.0 108.744 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 43.71 52.11 6.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 126.883 2.073 . . . . 0.0 112.53 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 56.88 18.41 3.84 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.843 1.257 . . . . 0.0 114.125 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.42 -2.69 32.71 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.218 1.39 . . . . 0.0 112.266 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.05 -3.04 57.53 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 119.168 1.484 . . . . 0.0 111.656 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.8 m -134.2 142.06 47.26 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.7 131.16 51.45 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.48 1.512 . . . . 0.0 110.272 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -101.31 112.45 24.97 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 103.915 -2.624 . . . . 0.0 103.915 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.23 102.37 13.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -102.67 123.8 47.03 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 124.995 1.318 . . . . 0.0 107.481 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -82.98 137.36 34.19 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 106.133 -1.802 . . . . 0.0 106.133 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.98 -24.33 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.292 1.037 . . . . 0.0 112.724 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 107.91 -2.076 . . . . 0.0 107.91 -179.038 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -151.3 148.04 27.69 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 125.373 1.469 . . . . 0.0 107.801 -178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.99 162.88 19.16 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 126.239 1.816 . . . . 0.0 109.833 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.6 m -148.69 174.92 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.297 0 C-N-CA 127.516 2.326 . . . . 0.0 108.783 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -128.18 108.57 10.74 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -93.56 125.53 46.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -94.24 133.17 38.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.429 -2.434 . . . . 0.0 104.429 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.68 118.85 30.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.973 0.351 . . . . 0.0 111.719 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -86.0 122.84 30.61 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 126.082 1.753 . . . . 0.0 107.191 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.21 134.84 51.24 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.7 mt -133.4 124.55 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -107.99 159.1 16.81 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.826 0.851 . . . . 0.0 111.038 -178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.33 -1.49 15.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.789 1.636 . . . . 0.0 112.789 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -95.67 4.51 52.97 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.347 1.859 . . . . 0.0 107.863 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.71 -13.05 38.07 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 120.03 -1.669 . . . . 0.0 112.782 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 m -70.79 156.51 39.44 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 117.972 0.886 . . . . 0.0 109.704 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -138.46 150.56 46.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.798 1.239 . . . . 0.0 108.403 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -152.31 146.41 25.36 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.419 1.088 . . . . 0.0 108.717 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 m -120.1 133.09 55.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 120.083 1.31 . . . . 0.0 108.988 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.14 166.62 11.63 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.003 1.721 . . . . 0.0 110.19 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -143.39 126.18 16.11 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 126.433 1.893 . . . . 0.0 107.434 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -123.54 129.13 50.74 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -110.28 142.82 41.36 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.18 -164.77 30.61 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 107.729 -2.149 . . . . 0.0 107.729 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.9 p -70.84 165.11 23.9 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.24 -48.29 79.2 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 121.574 -0.704 . . . . 0.0 110.637 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.67 -26.21 66.93 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.489 0.716 . . . . 0.0 112.402 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.42 -56.15 4.39 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.091 0.86 . . . . 0.0 109.147 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.18 -36.47 68.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.257 1.023 . . . . 0.0 111.509 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.5 m -64.37 -47.0 80.91 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -64.27 -35.69 81.66 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.499 0.72 . . . . 0.0 110.676 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.1 -35.27 80.2 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.812 -0.555 . . . . 0.0 111.293 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.94 96.74 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -72.82 -30.43 64.04 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.014 0.526 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.69 -51.9 55.74 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 108.75 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -58.72 -45.1 90.36 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.131 1.373 . . . . 0.0 109.322 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.84 78.73 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.234 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.32 -36.88 79.97 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 119.437 1.017 . . . . 0.0 109.863 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.5 -10.23 24.16 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.261 1.024 . . . . 0.0 111.782 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.3 mt -118.3 -8.98 10.5 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.584 1.954 . . . . 0.0 111.121 179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -60.49 -25.92 66.42 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.198 1.399 . . . . 0.0 114.439 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -61.23 1.84 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.242 0.928 . . . . 0.0 109.585 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -76.01 -21.53 56.78 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -107.63 -10.24 15.7 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 118.902 0.774 . . . . 0.0 112.678 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.24 -177.34 42.63 Favored Glycine 0 C--N 1.332 0.353 0 N-CA-C 115.822 1.089 . . . . 0.0 115.822 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -62.58 164.79 7.09 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.886 0.474 . . . . 0.0 110.309 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 17.6 p-90 -149.81 166.54 29.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.318 0.58 . . . . 0.0 111.832 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.6 p -140.13 159.94 41.07 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 126.978 2.111 . . . . 0.0 105.339 177.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -129.82 150.49 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-O 121.248 0.547 . . . . 0.0 111.059 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 14.2 t70 -127.38 132.33 50.18 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 128.023 2.529 . . . . 0.0 104.302 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.4 133.7 34.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 123.802 0.841 . . . . 0.0 109.318 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.43 164.95 26.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.895 1.278 . . . . 0.0 109.56 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 45.43 48.92 10.69 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.986 1.714 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 63.03 -0.9 0.55 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.941 2.097 . . . . 0.0 114.625 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.2 -9.99 6.97 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 127.678 2.561 . . . . 0.0 111.314 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -68.24 -12.85 61.68 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.939 1.869 . . . . 0.0 110.646 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 99.4 m -131.43 130.09 42.07 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.4 mt -120.54 131.98 54.95 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 124.355 1.062 . . . . 0.0 108.67 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 82.3 m-20 -108.61 106.67 16.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.6 mt -110.51 108.89 26.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.0 135.78 47.98 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -104.24 123.94 48.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.867 1.267 . . . . 0.0 108.863 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.82 -22.7 63.28 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 125.0 1.32 . . . . 0.0 112.606 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -178.072 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -142.79 117.17 9.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 103.167 -2.901 . . . . 0.0 103.167 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -118.22 178.29 4.49 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.86 169.87 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.792 1.237 . . . . 0.0 108.148 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.0 m -132.81 103.7 6.23 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mt -90.83 121.67 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -90.49 93.7 9.41 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.51 109.87 20.41 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -91.82 131.18 37.36 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.95 129.57 54.38 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.34 106.72 17.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -71.73 159.15 34.85 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.02 -10.59 57.76 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -87.1 36.8 0.74 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.284 1.434 . . . . 0.0 112.151 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.78 51.74 22.76 Favored Glycine 0 C--N 1.342 0.869 0 C-N-CA 125.497 1.522 . . . . 0.0 113.91 177.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 p -155.62 160.46 40.46 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 p -133.2 167.45 20.34 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.532 0.682 . . . . 0.0 110.53 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.84 146.18 25.49 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.695 1.998 . . . . 0.0 106.034 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -134.04 129.08 35.55 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 104.693 -2.336 . . . . 0.0 104.693 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.9 129.44 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 126.493 1.917 . . . . 0.0 110.599 -178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -104.01 109.59 21.43 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -89.05 138.72 31.16 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -124.14 157.32 34.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.049 0.94 . . . . 0.0 110.367 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.15 -160.27 18.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 155.0 38.15 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.03 -47.8 71.19 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.419 0.688 . . . . 0.0 112.025 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.6 -43.26 97.63 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.564 0.746 . . . . 0.0 110.7 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.92 -65.66 0.65 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.634 1.174 . . . . 0.0 109.337 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.52 -40.83 39.26 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.702 1.201 . . . . 0.0 112.683 -178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.0 m -66.35 -50.58 63.08 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 t -61.45 -35.86 78.78 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.317 0.647 . . . . 0.0 110.952 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -69.4 -41.57 76.24 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.867 0.867 . . . . 0.0 110.003 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.12 81.71 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.0 m-30 -73.08 -29.01 62.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.627 0.771 . . . . 0.0 110.509 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.12 27.32 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.142 -0.974 . . . . 0.0 108.679 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.53 -41.22 89.52 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.111 0.564 . . . . 0.0 110.785 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.19 76.55 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 122.029 -0.419 . . . . 0.0 109.921 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -69.39 -36.05 76.39 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.056 0.543 . . . . 0.0 110.67 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.17 -23.94 66.9 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.491 -0.755 . . . . 0.0 111.727 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.9 mt -101.97 -11.47 18.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.413 1.085 . . . . 0.0 111.923 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -58.03 -20.05 35.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 127.346 2.258 . . . . 0.0 114.452 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -59.43 -57.85 11.18 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 118.795 0.725 . . . . 0.0 109.544 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -90.87 -31.4 16.44 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.684 1.594 . . . . 0.0 113.406 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -88.46 -5.87 57.99 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.28 -175.57 42.62 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 123.86 0.743 . . . . 0.0 113.012 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -64.87 166.76 8.59 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 122.226 1.013 . . . . 0.0 111.15 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -147.51 168.23 22.45 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 124.456 1.102 . . . . 0.0 110.707 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.6 p -136.94 163.7 30.08 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.53 130.91 24.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 119.161 0.892 . . . . 0.0 112.568 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -100.14 111.18 23.47 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.883 -2.265 . . . . 0.0 104.883 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.3 t -82.25 125.81 39.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.87 173.58 11.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.999 0.92 . . . . 0.0 111.488 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 44.53 64.6 1.29 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.332 2.253 . . . . 0.0 112.343 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 59.28 15.81 4.54 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.505 1.522 . . . . 0.0 112.079 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.04 1.25 82.32 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 126.602 2.048 . . . . 0.0 110.886 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -75.5 -10.12 59.17 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 119.238 1.519 . . . . 0.0 111.013 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.4 m -132.68 126.36 32.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 79.8 mt -117.05 131.16 57.0 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -110.08 91.31 3.6 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.84 115.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 125.291 1.437 . . . . 0.0 107.538 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -118.68 120.94 38.93 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -83.29 141.52 31.77 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 113.929 -1.487 . . . . 0.0 107.63 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.51 -13.84 20.3 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.709 1.204 . . . . 0.0 111.672 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 -179.029 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.2 ttm . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -149.8 123.11 8.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -98.52 121.3 40.28 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.1 m -118.85 174.27 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 125.799 1.639 . . . . 0.0 109.275 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -131.95 134.02 45.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.8 mt -121.22 124.71 72.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 97.48 10.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.47 1.508 . . . . 0.0 110.188 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.94 126.36 34.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.717 0.77 . . . . 0.0 110.216 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -101.38 131.42 47.47 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.24 114.91 20.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.374 -1.713 . . . . 0.0 106.374 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.61 133.96 57.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 105.426 -2.065 . . . . 0.0 105.426 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -117.3 149.48 40.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.753 0.421 . . . . 0.0 110.814 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.42 -25.55 64.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.369 1.068 . . . . 0.0 110.332 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -53.18 -32.92 50.36 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.945 1.298 . . . . 0.0 111.431 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.71 -27.09 6.65 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.06 169.62 17.64 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 122.747 1.261 . . . . 0.0 110.439 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.0 p -137.43 159.98 40.4 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 127.025 2.13 . . . . 0.0 108.326 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -146.26 145.09 30.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.65 1.18 . . . . 0.0 108.296 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.6 m -118.2 139.35 51.42 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 124.301 1.04 . . . . 0.0 111.182 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.15 152.69 48.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.245 1.418 . . . . 0.0 108.61 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -143.99 109.8 5.28 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 127.033 2.133 . . . . 0.0 105.981 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.71 146.43 25.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -130.2 149.57 51.84 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 110.833 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 131.23 -161.21 23.56 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.6 p -62.15 151.0 37.08 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -55.84 -45.68 78.33 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 121.993 -0.442 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -57.38 -44.23 84.28 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.006 0.922 . . . . 0.0 111.011 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -66.52 -59.32 3.75 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 124.506 1.123 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.41 -37.72 57.33 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.991 0.916 . . . . 0.0 111.989 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 84.9 m -60.7 -53.03 62.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.765 -0.584 . . . . 0.0 109.909 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.3 m -62.11 -35.69 79.47 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.522 1.055 . . . . 0.0 112.407 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.51 -41.74 94.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 118.607 0.64 . . . . 0.0 111.126 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.5 84.52 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 119.027 -0.511 . . . . 0.0 110.864 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -72.92 -31.2 64.47 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.253 0.933 . . . . 0.0 109.421 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.62 74.91 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 39' ' ' THR . 4.9 t80 -69.8 -45.63 67.49 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.5 -28.68 69.82 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.191 -0.943 . . . . 0.0 110.683 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.83 -36.63 82.8 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 121.181 -0.949 . . . . 0.0 112.208 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 36' ' ' TYR . 15.4 t -68.89 -21.07 64.26 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.103 0.865 . . . . 0.0 111.499 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.96 -0.31 27.06 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 121.294 -0.879 . . . . 0.0 113.092 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -64.66 -38.43 90.97 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 119.725 1.148 . . . . 0.0 112.701 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -79.43 -28.95 41.69 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 120.393 1.452 . . . . 0.0 109.264 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -77.26 -26.26 52.3 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 125.007 1.323 . . . . 0.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -130.74 -4.79 4.09 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.36 178.91 34.12 Favored Glycine 0 C--N 1.333 0.383 0 CA-C-N 119.437 1.017 . . . . 0.0 113.219 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -61.77 157.64 17.52 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 122.189 0.995 . . . . 0.0 109.966 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -134.39 168.55 18.71 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-O 123.211 1.481 . . . . 0.0 111.544 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.46 152.59 43.14 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 130.214 3.406 . . . . 0.0 105.188 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.27 138.44 33.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -120.66 141.14 50.65 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.076 1.351 . . . . 0.0 108.022 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.3 p -95.69 102.65 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 126.816 2.046 . . . . 0.0 106.428 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.07 172.73 6.98 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 125.6 1.56 . . . . 0.0 110.635 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t0 43.28 57.62 3.73 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 129.062 2.945 . . . . 0.0 113.593 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 61.24 3.05 0.67 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.589 1.156 . . . . 0.0 112.964 -178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 120.84 -10.02 10.39 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 128.617 3.008 . . . . 0.0 110.944 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -81.25 -7.28 59.54 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 119.866 1.833 . . . . 0.0 114.858 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.9 m -123.96 131.04 53.51 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -118.69 131.34 56.15 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -115.74 91.85 3.73 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 mt -90.03 105.16 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.536 1.534 . . . . 0.0 108.017 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -111.52 123.84 51.04 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.723 1.209 . . . . 0.0 109.163 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -92.02 163.0 14.14 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.184 1.394 . . . . 0.0 110.693 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.52 -19.44 12.12 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.125 0 N-CA-C 107.612 -2.195 . . . . 0.0 107.612 -178.338 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 mtm . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.13 96.7 3.0 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -89.53 -174.15 4.23 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.36 166.15 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 O-C-N 121.302 -0.874 . . . . 0.0 109.922 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 m -128.5 96.8 4.51 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 104.943 -2.244 . . . . 0.0 104.943 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.3 mt -89.95 118.54 35.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -91.02 126.3 36.06 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.621 -1.251 . . . . 0.0 107.621 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.91 111.22 23.23 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -91.22 119.52 31.37 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -112.65 123.73 50.96 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 122.223 1.011 . . . . 0.0 109.752 -178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.99 113.3 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 127.67 2.388 . . . . 0.0 108.005 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.42 157.13 19.9 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.383 0.611 . . . . 0.0 110.515 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.93 -14.42 61.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.51 0.724 . . . . 0.0 111.433 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -91.42 7.18 42.38 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.108 1.763 . . . . 0.0 111.369 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.02 -20.6 28.18 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.354 0.978 . . . . 0.0 113.669 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -64.34 161.83 16.09 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.62 1.71 . . . . 0.0 110.211 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -144.23 129.35 18.64 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 121.185 -0.947 . . . . 0.0 109.753 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -127.35 145.05 50.94 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 m -123.21 138.17 54.71 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.83 145.52 49.73 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -129.9 118.97 22.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -113.89 140.36 48.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 125.939 1.696 . . . . 0.0 107.893 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -124.43 152.0 43.82 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.977 1.711 . . . . 0.0 108.455 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.08 -155.0 21.43 Favored Glycine 0 C--O 1.237 0.309 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.14 161.67 13.08 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -57.92 -54.67 44.29 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.857 -0.527 . . . . 0.0 109.893 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.21 -31.03 69.35 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.78 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -61.17 -55.63 30.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 119.292 0.951 . . . . 0.0 108.507 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.13 -39.89 87.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.572 0.749 . . . . 0.0 110.069 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 96.6 m -59.95 -54.18 49.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.307 0.643 . . . . 0.0 109.475 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -33.1 72.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.231 0.612 . . . . 0.0 111.594 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -65.58 -39.81 92.04 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.769 0.713 . . . . 0.0 110.219 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.36 93.76 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.75 -0.594 . . . . 0.0 110.097 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -73.05 -29.06 62.69 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -55.31 17.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.65 -46.77 77.43 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.744 1.218 . . . . 0.0 110.193 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.48 78.3 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.558 -0.714 . . . . 0.0 111.628 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -69.78 -34.02 73.19 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 120.866 -1.146 . . . . 0.0 109.868 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -5.57 12.55 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.049 1.34 . . . . 0.0 112.175 179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -122.13 -14.02 8.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.481 1.512 . . . . 0.0 111.396 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -57.15 -25.26 58.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.517 1.527 . . . . 0.0 113.6 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -63.46 -61.34 2.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 120.721 1.6 . . . . 0.0 111.035 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -80.92 -25.43 37.49 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -89.21 -18.13 27.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.435 -179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.81 -179.22 44.23 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 124.887 1.232 . . . . 0.0 111.755 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.16 164.73 4.95 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 122.669 1.223 . . . . 0.0 111.748 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -144.66 170.48 16.0 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.119 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -132.85 172.66 12.3 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.86 155.78 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.99 141.19 48.16 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.0 t -103.2 134.27 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 125.924 1.69 . . . . 0.0 109.585 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HB3' ' HB ' ' A' ' 57' ' ' THR . . . -140.0 170.7 15.38 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.624 1.569 . . . . 0.0 107.975 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.86 43.74 25.05 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.869 1.668 . . . . 0.0 110.215 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 60.04 2.44 0.41 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.15 1.78 . . . . 0.0 113.331 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.43 -13.13 4.02 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 126.779 2.133 . . . . 0.0 111.818 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -76.02 -3.42 35.68 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.641 1.72 . . . . 0.0 113.175 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.408 ' HB ' ' HB3' ' A' ' 52' ' ' ALA . 87.5 m -133.29 133.84 43.12 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.5 mt -125.49 131.43 52.83 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -115.77 120.68 40.09 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.5 mt -118.77 130.82 73.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 124.547 1.139 . . . . 0.0 108.056 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -123.63 120.39 32.64 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.19 0.596 . . . . 0.0 109.752 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -81.8 117.7 22.3 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.05 -10.15 59.75 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-N 119.641 1.11 . . . . 0.0 112.381 -179.567 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.47 0.573 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -156.14 138.89 15.17 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.809 1.643 . . . . 0.0 107.28 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -116.11 130.63 56.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 m -119.16 174.38 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 125.702 1.601 . . . . 0.0 108.28 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.8 m -139.23 111.2 7.31 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.419 1.888 . . . . 0.0 106.991 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.73 132.09 54.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -99.99 140.88 33.58 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.27 117.99 28.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -85.51 125.75 33.31 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 102.735 -3.061 . . . . 0.0 102.735 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.87 104.35 12.34 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.4 mp -100.31 126.79 53.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -111.37 142.24 43.86 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.44 65.63 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.061 1.344 . . . . 0.0 111.63 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -69.71 -5.26 23.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.887 0.875 . . . . 0.0 110.816 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.76 8.86 69.28 Favored Glycine 0 CA--C 1.525 0.718 0 O-C-N 120.755 -1.215 . . . . 0.0 111.784 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -97.92 161.56 13.68 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 124.32 1.048 . . . . 0.0 108.538 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 44.3 p -143.63 158.03 43.97 Favored 'General case' 0 C--O 1.232 0.145 0 O-C-N 121.607 -0.683 . . . . 0.0 110.339 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -152.09 148.02 27.17 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 126.125 1.77 . . . . 0.0 106.755 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -134.38 138.86 45.18 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 119.68 -1.888 . . . . 0.0 107.418 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.67 159.01 43.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.015 0.926 . . . . 0.0 110.16 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -126.79 147.84 49.98 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -135.98 138.91 42.75 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -121.64 156.98 31.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.51 0.724 . . . . 0.0 110.363 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.55 -148.09 19.47 Favored Glycine 0 C--N 1.329 0.188 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.7 p -75.03 166.54 23.5 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -58.11 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.59 -47.1 87.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.004 1.322 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -62.22 -54.37 41.79 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.68 -30.49 63.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.112 0.565 . . . . 0.0 111.078 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.3 m -71.23 -55.6 7.77 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 120.488 -1.382 . . . . 0.0 109.329 176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.62 -36.0 81.54 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 116.456 2.021 . . . . 0.0 116.456 -177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -29.6 68.93 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 120.088 1.313 . . . . 0.0 109.408 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.8 81.81 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -73.25 -31.96 64.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.88 81.69 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -58.81 -45.79 89.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.16 0.984 . . . . 0.0 109.128 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.59 -29.81 69.96 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.96 -1.088 . . . . 0.0 111.663 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -62.9 -36.68 84.16 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 125.069 1.348 . . . . 0.0 113.394 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -33.41 75.36 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.139 0.881 . . . . 0.0 110.63 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.9 mt -85.29 -6.95 59.22 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.695 1.198 . . . . 0.0 112.804 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -65.28 -7.08 11.53 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 125.846 1.658 . . . . 0.0 114.011 -178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -60.99 2.03 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 120.446 1.476 . . . . 0.0 109.392 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.22 -16.41 59.83 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 125.068 1.347 . . . . 0.0 112.627 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 -111.73 -11.8 13.93 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 118.181 -0.914 . . . . 0.0 112.995 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 75.91 -167.37 54.68 Favored Glycine 0 C--N 1.333 0.409 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -57.63 162.18 3.19 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.696 1.236 . . . . 0.0 112.141 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -150.88 167.66 26.84 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 125.647 1.579 . . . . 0.0 107.862 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 70.5 p -141.52 154.3 45.41 Favored 'General case' 0 C--O 1.242 0.679 0 N-CA-C 104.591 -2.374 . . . . 0.0 104.591 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.33 122.48 51.01 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 118.105 0.412 . . . . 0.0 110.356 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -97.4 141.7 30.17 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.5 p -96.53 121.99 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.971 0.908 . . . . 0.0 109.689 -179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -126.24 172.87 9.72 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.003 1.321 . . . . 0.0 109.332 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 t0 44.24 59.38 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 127.114 2.166 . . . . 0.0 111.964 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 54.48 12.03 0.49 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.78 13.7 13.69 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-O 118.279 -1.29 . . . . 0.0 112.031 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -111.47 -6.44 14.44 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.847 1.824 . . . . 0.0 112.205 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.6 m -129.61 107.22 9.28 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.383 1.073 . . . . 0.0 108.475 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 48.1 mt -97.26 124.45 41.37 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -96.42 91.81 6.0 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.51 114.42 28.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 119.116 0.871 . . . . 0.0 108.654 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -127.57 132.77 49.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -94.13 154.17 17.73 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.742 1.617 . . . . 0.0 110.333 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -112.33 -8.05 13.95 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 O-C-N 121.192 -0.942 . . . . 0.0 113.775 179.169 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.75 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -85.97 81.56 8.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.438 1.017 . . . . 0.0 108.995 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -127.83 165.41 20.19 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.62 0.768 . . . . 0.0 109.894 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.73 173.64 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 128.863 2.865 . . . . 0.0 107.214 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -134.5 136.76 43.36 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.06 121.84 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -91.53 132.86 35.99 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.36 131.23 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.63 0.772 . . . . 0.0 109.846 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -104.15 118.93 37.83 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -111.28 111.32 22.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 124.912 1.285 . . . . 0.0 109.168 -178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.13 129.66 59.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 C-N-CA 124.962 1.305 . . . . 0.0 107.56 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -105.02 158.45 16.54 Favored 'General case' 0 C--O 1.232 0.161 0 C-N-CA 123.872 0.869 . . . . 0.0 108.834 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.08 -14.86 63.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.955 0.502 . . . . 0.0 110.188 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -74.22 0.93 12.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.054 1.741 . . . . 0.0 110.62 178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.54 -41.93 2.93 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.9 m -59.55 160.17 7.41 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.673 1.189 . . . . 0.0 112.746 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.2 p -136.0 172.21 13.35 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.778 1.231 . . . . 0.0 110.835 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -152.72 146.96 25.54 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.147 2.179 . . . . 0.0 107.131 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -125.26 138.85 54.1 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.67 163.1 27.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.199 1.399 . . . . 0.0 109.113 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -137.6 109.89 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.485 1.914 . . . . 0.0 106.427 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -96.78 143.76 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.149 1.38 . . . . 0.0 108.293 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -131.65 148.23 52.58 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.44 1.496 . . . . 0.0 110.731 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 139.18 -145.7 17.04 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 106.997 -2.441 . . . . 0.0 106.997 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 45.9 p -89.97 -176.56 4.94 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 117.756 0.778 . . . . 0.0 109.286 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -56.45 -63.55 1.16 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.364 1.066 . . . . 0.0 111.987 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.65 -34.87 74.93 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -58.28 -67.11 0.38 Allowed 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.517 1.527 . . . . 0.0 111.592 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -43.22 95.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 124.515 1.135 . . . . 0.0 112.018 -177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 m -63.18 -45.48 91.61 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 122.164 -0.335 . . . . 0.0 110.201 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -67.5 -35.15 78.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.991 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.57 -40.15 92.47 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.15 82.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.345 0.52 . . . . 0.0 110.17 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.47 -31.16 63.62 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.471 0.578 . . . . 0.0 110.127 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.37 -44.66 74.68 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 120.945 -1.097 . . . . 0.0 108.937 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -58.27 -46.06 86.74 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 126.754 2.022 . . . . 0.0 110.823 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.12 -36.31 66.71 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 117.903 0.319 . . . . 0.0 110.164 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.78 -30.39 71.42 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 120.858 -1.151 . . . . 0.0 111.793 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.56 -16.0 63.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.717 1.207 . . . . 0.0 112.162 179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.46 -1.62 14.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.832 1.653 . . . . 0.0 111.092 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -80.87 56.67 2.8 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 127.374 2.269 . . . . 0.0 110.314 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -152.28 -57.93 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.45 -20.78 53.94 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 121.725 -0.61 . . . . 0.0 111.941 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -105.9 -39.04 6.15 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.45 -179.35 16.45 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.38 159.72 23.5 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.434 0.635 . . . . 0.0 109.427 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 p-90 -139.44 162.44 35.04 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.663 0.785 . . . . 0.0 110.039 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -127.19 163.45 23.84 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.18 157.23 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.274 0.559 . . . . 0.0 109.884 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' HB3' ' HB2' ' A' ' 59' ' ' ASN . 15.0 t70 -138.67 121.23 16.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.7 t -88.18 130.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.11 174.13 10.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.24 1.016 . . . . 0.0 110.608 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t0 45.92 64.25 1.53 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 127.534 2.334 . . . . 0.0 111.449 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 58.5 4.25 0.34 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.433 1.493 . . . . 0.0 113.815 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 110.29 0.19 29.66 Favored Glycine 0 CA--C 1.523 0.541 0 C-N-CA 125.811 1.672 . . . . 0.0 112.23 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -87.74 -9.3 54.43 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 119.598 1.699 . . . . 0.0 112.559 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 58.6 m -123.41 114.79 20.6 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -105.88 129.07 54.11 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.416 ' HB2' ' HB3' ' A' ' 50' ' ' ASP . 85.7 m-20 -110.9 110.83 21.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.8 mt -121.47 127.18 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 120.526 1.512 . . . . 0.0 108.056 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -131.11 136.41 48.35 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 123.853 0.861 . . . . 0.0 108.926 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.99 143.41 27.88 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 124.203 1.001 . . . . 0.0 109.143 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.38 -65.04 1.06 Allowed 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.876 0.87 . . . . 0.0 109.189 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -159.18 160.32 35.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -166.74 -174.6 2.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.236 1.815 . . . . 0.0 110.018 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -131.38 175.88 10.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 C-N-CA 126.76 2.024 . . . . 0.0 111.131 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.47 136.61 52.85 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.574 1.549 . . . . 0.0 108.572 178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.8 mt -125.41 125.27 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.916 1.286 . . . . 0.0 108.192 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -96.42 93.93 7.12 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.649 1.18 . . . . 0.0 109.631 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.71 109.75 19.93 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -84.3 132.06 34.66 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 127.047 2.139 . . . . 0.0 105.961 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mt -116.67 114.67 24.38 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 124.153 0.981 . . . . 0.0 110.216 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -114.94 100.46 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -80.16 159.13 26.12 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.88 -0.513 . . . . 0.0 111.515 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.28 -26.75 63.95 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.53 9.16 1.47 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.825 0.85 . . . . 0.0 111.726 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.18 18.6 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 126.208 1.861 . . . . 0.0 113.712 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.0 m -57.43 153.0 13.41 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.667 1.587 . . . . 0.0 111.24 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -127.83 139.37 52.68 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.727 1.611 . . . . 0.0 109.78 -178.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -152.55 146.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.103 -0.998 . . . . 0.0 109.66 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 m -132.09 138.75 48.25 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 108.093 -1.076 . . . . 0.0 108.093 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.88 107.95 4.95 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.582 1.953 . . . . 0.0 108.158 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -92.75 109.89 21.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -88.13 143.7 26.91 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 124.695 1.198 . . . . 0.0 109.24 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -125.29 147.45 49.11 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.371 1.068 . . . . 0.0 110.597 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.38 -162.69 22.05 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.297 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 151.65 17.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -55.7 -46.81 77.58 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 122.091 -0.381 . . . . 0.0 111.796 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -63.5 -46.42 86.18 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -54.86 -57.11 12.92 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.19 99.3 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.385 0.274 . . . . 0.0 111.607 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.7 m -63.07 -40.65 98.3 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -65.95 -36.93 84.7 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.199 1.0 . . . . 0.0 110.553 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -73.28 -31.38 64.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.67 -0.644 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.51 96.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -73.1 -32.6 65.07 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 119.399 -0.92 . . . . 0.0 109.845 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.63 68.45 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 118.161 0.437 . . . . 0.0 109.842 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -71.3 -40.64 70.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.628 -0.67 . . . . 0.0 109.31 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.44 72.36 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.582 -0.699 . . . . 0.0 109.145 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.74 -37.14 85.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.865 1.266 . . . . 0.0 112.758 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -68.97 -14.69 63.19 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.646 1.112 . . . . 0.0 111.106 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.72 -10.81 14.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.483 1.113 . . . . 0.0 112.097 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.54 -44.23 76.57 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 124.757 1.223 . . . . 0.0 111.719 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -59.11 -23.14 61.85 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -117.92 -2.83 11.24 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.808 1.186 . . . . 0.0 114.021 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -127.34 -10.52 5.78 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.84 0.856 . . . . 0.0 113.037 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.17 179.11 38.6 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 125.425 1.488 . . . . 0.0 112.868 179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -68.36 166.69 16.11 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -142.73 160.6 40.0 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 123.746 0.818 . . . . 0.0 111.185 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.29 147.97 49.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -121.56 146.47 26.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 123.315 0.646 . . . . 0.0 111.752 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -115.51 124.84 52.09 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 105.836 -1.912 . . . . 0.0 105.836 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -82.92 109.78 17.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -118.11 162.31 18.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.715 1.206 . . . . 0.0 108.866 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 45.36 48.23 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 126.169 1.788 . . . . 0.0 112.436 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.5 24.12 9.93 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.427 -0.795 . . . . 0.0 112.122 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.57 -9.05 60.44 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 126.863 2.173 . . . . 0.0 112.291 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -73.12 -7.14 50.03 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.225 2.012 . . . . 0.0 111.033 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 61.6 m -138.48 132.85 31.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.0 mt -126.42 123.56 38.17 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -102.17 94.44 5.74 Favored 'General case' 0 CA--C 1.513 -0.479 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.9 mt -91.71 112.75 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.83 1.252 . . . . 0.0 107.745 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -119.11 135.8 54.47 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -87.11 147.82 25.48 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.67 1.188 . . . . 0.0 112.035 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.47 -7.76 21.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.657 1.583 . . . . 0.0 112.479 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 108.661 -1.776 . . . . 0.0 108.661 -178.578 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttm . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -131.75 77.12 1.75 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -113.71 161.58 17.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.453 1.501 . . . . 0.0 109.202 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.2 m -131.09 167.27 26.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 125.552 1.541 . . . . 0.0 107.495 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.3 m -126.82 108.26 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.001 -1.851 . . . . 0.0 106.001 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mt -94.76 120.81 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -91.51 134.59 34.52 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -117.3 136.6 52.99 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.628 1.571 . . . . 0.0 107.649 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -117.48 132.29 56.58 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.789 2.036 . . . . 0.0 107.412 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -117.51 126.34 52.42 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 125.249 1.42 . . . . 0.0 107.368 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.8 mt -122.68 107.81 20.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 104.93 -2.248 . . . . 0.0 104.93 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -88.01 158.74 18.54 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.136 0.974 . . . . 0.0 112.11 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.645 1.178 . . . . 0.0 108.749 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.21 2.95 13.95 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.898 2.079 . . . . 0.0 110.807 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.42 -4.49 49.37 Favored Glycine 0 CA--C 1.534 1.222 0 O-C-N 120.897 -1.127 . . . . 0.0 112.467 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 p -81.64 160.28 23.79 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 125.512 1.525 . . . . 0.0 108.677 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 p -134.56 156.16 49.16 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -152.28 146.0 25.05 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -130.96 134.78 47.04 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 163.35 23.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 125.158 1.383 . . . . 0.0 108.664 178.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -141.5 132.29 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -126.5 127.79 45.89 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -111.02 158.28 18.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.935 0.894 . . . . 0.0 109.204 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.62 -149.73 19.11 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 107.489 -2.244 . . . . 0.0 107.489 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.2 p -77.23 156.71 31.29 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -50.6 -53.23 32.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.707 1.203 . . . . 0.0 113.639 -178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.77 -39.02 87.69 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.009 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -59.43 5.43 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.751 0.82 . . . . 0.0 109.941 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.1 65.41 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.394 0.678 . . . . 0.0 110.635 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -68.38 -43.46 77.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.996 -0.44 . . . . 0.0 110.34 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -35.74 81.42 Favored 'General case' 0 C--N 1.34 0.183 0 O-C-N 121.092 -1.005 . . . . 0.0 111.61 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.27 -40.27 95.64 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.908 0.883 . . . . 0.0 109.466 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.2 93.34 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -73.39 -28.75 62.19 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.845 -0.534 . . . . 0.0 110.785 179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.28 21.38 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.995 1.318 . . . . 0.0 108.755 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.24 -34.87 75.85 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.71 -25.7 65.79 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.622 -1.299 . . . . 0.0 110.458 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.47 -36.5 82.92 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 118.174 -0.917 . . . . 0.0 112.76 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -68.0 -39.1 83.29 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.459 1.027 . . . . 0.0 109.039 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.8 mt -67.81 -26.3 66.0 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.869 0.868 . . . . 0.0 111.05 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -59.11 -22.84 61.47 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -60.06 3.12 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.718 0.69 . . . . 0.0 112.301 -179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.05 -23.17 21.52 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 -178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.96 -20.43 21.38 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.635 0.652 . . . . 0.0 112.602 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.88 -170.77 32.3 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.46 165.7 3.54 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 122.196 0.998 . . . . 0.0 111.298 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -148.6 160.94 42.63 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 124.931 1.292 . . . . 0.0 109.428 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 p -124.48 173.3 8.54 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 126.318 1.847 . . . . 0.0 107.639 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -139.34 132.29 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.91 127.45 41.95 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.7 t -100.21 117.73 45.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.55 170.76 15.1 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 126.137 1.775 . . . . 0.0 107.699 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.79 34.63 10.47 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.96 1.704 . . . . 0.0 112.292 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 58.39 28.72 17.21 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.241 1.416 . . . . 0.0 112.173 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.62 -4.85 69.61 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 118.037 -1.424 . . . . 0.0 114.339 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.45 -9.2 59.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.531 2.166 . . . . 0.0 113.387 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 m -132.78 113.29 12.77 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.1 mt -100.6 132.52 45.94 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -124.73 100.19 6.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -98.54 136.83 27.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -131.88 125.76 32.53 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -81.32 133.52 35.44 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.351 0.596 . . . . 0.0 111.393 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.46 -21.65 66.43 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.71 1.604 . . . . 0.0 112.564 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.677 0 C-N-CA 125.313 1.435 . . . . 0.0 110.924 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ptt? . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.2 141.5 17.51 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 121.997 0.903 . . . . 0.0 109.308 -177.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -101.34 134.88 43.74 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 128.034 2.534 . . . . 0.0 104.528 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.95 175.14 11.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 C-N-CA 125.509 1.524 . . . . 0.0 109.234 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.07 110.49 12.08 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 mt -96.74 117.77 41.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -91.0 108.13 19.66 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.05 111.57 23.55 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.382 1.073 . . . . 0.0 109.616 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -87.35 131.58 34.23 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 105.129 -2.174 . . . . 0.0 105.129 178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -122.18 126.59 48.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.86 119.43 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -90.06 154.67 19.62 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.1 -22.45 65.81 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 122.445 0.298 . . . . 0.0 111.563 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -73.16 -3.0 23.86 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.608 0.718 . . . . 0.0 109.91 177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.9 -10.48 74.42 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 127.881 2.658 . . . . 0.0 114.717 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.6 m -64.83 151.15 46.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.52 1.128 . . . . 0.0 111.33 -179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -117.48 143.26 46.23 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.998 0.919 . . . . 0.0 110.766 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -149.96 146.74 27.2 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 126.252 1.821 . . . . 0.0 109.796 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.67 139.99 52.37 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.469 0.707 . . . . 0.0 109.783 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.33 154.61 43.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 127.5 2.32 . . . . 0.0 107.279 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -135.82 109.77 8.21 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -97.48 129.81 44.63 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -110.85 153.77 24.96 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 125.691 1.596 . . . . 0.0 108.895 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.35 -155.9 20.63 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.1 p -70.6 161.55 30.5 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -56.16 -50.46 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.658 0.783 . . . . 0.0 110.552 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -59.73 -48.68 80.71 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.08 0.952 . . . . 0.0 110.622 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -55.05 -57.16 12.84 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 124.887 1.275 . . . . 0.0 110.012 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.91 71.06 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.545 1.138 . . . . 0.0 111.302 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.5 m -68.37 -47.68 66.75 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -61.31 -35.63 77.91 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.907 0.483 . . . . 0.0 110.29 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -62.19 -41.3 98.21 Favored 'General case' 0 C--N 1.339 0.13 0 CA-C-N 118.332 0.514 . . . . 0.0 110.168 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.74 -44.14 93.91 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 117.981 0.355 . . . . 0.0 110.8 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.69 -31.43 63.43 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.835 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.17 -51.23 59.74 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.823 1.249 . . . . 0.0 109.182 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.8 -47.2 86.19 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.114 1.366 . . . . 0.0 109.323 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.24 -30.38 70.41 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.427 -0.796 . . . . 0.0 111.28 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.04 -36.39 83.83 Favored 'General case' 0 C--O 1.228 -0.053 0 CA-C-N 118.325 0.511 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -22.97 64.87 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.874 0.307 . . . . 0.0 111.277 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.03 -12.76 24.43 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 124.083 0.953 . . . . 0.0 112.013 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -60.74 -9.08 3.49 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 127.038 2.135 . . . . 0.0 113.608 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -78.56 -73.53 0.32 Allowed 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -72.98 -12.94 61.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.395 0.998 . . . . 0.0 113.316 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -105.97 -9.6 17.0 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 118.914 0.779 . . . . 0.0 111.467 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.48 -171.04 49.99 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.16 161.7 5.08 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 122.564 1.173 . . . . 0.0 110.479 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 p-90 -134.88 164.69 27.02 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.765 0.793 . . . . 0.0 111.274 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.3 p -126.05 157.72 37.21 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -133.74 163.47 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 118.722 0.692 . . . . 0.0 111.178 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.41 141.88 32.31 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.202 2.201 . . . . 0.0 106.865 178.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.08 133.39 50.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 124.109 0.964 . . . . 0.0 108.476 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.26 166.75 23.84 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 46.4 45.13 13.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.257 1.423 . . . . 0.0 111.866 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 52.18 39.23 26.4 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.471 1.908 . . . . 0.0 111.58 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.06 -10.92 72.43 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-O 118.217 -1.324 . . . . 0.0 113.351 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -72.02 -13.22 61.55 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.965 1.883 . . . . 0.0 110.08 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.5 m -129.28 123.14 31.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.7 mt -116.18 133.33 56.14 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -118.95 97.2 5.58 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 123.484 0.713 . . . . 0.0 109.756 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -98.95 119.68 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 124.309 1.043 . . . . 0.0 108.579 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.65 117.21 30.21 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.409 1.484 . . . . 0.0 107.597 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -79.91 136.08 36.57 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.812 0.845 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.16 -20.83 33.98 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.431 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.367 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 mtt . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -152.2 136.94 17.03 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -106.21 169.85 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.843 1.257 . . . . 0.0 109.543 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -132.88 170.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 126.283 1.833 . . . . 0.0 107.16 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 m -132.26 140.2 48.55 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.8 mt -120.63 117.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -92.73 111.47 23.08 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -102.81 112.02 24.62 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 122.074 0.94 . . . . 0.0 108.636 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -85.1 129.34 34.82 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.59 -2.374 . . . . 0.0 104.59 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 119.18 32.56 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.9 mt -114.54 100.63 11.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 125.492 1.517 . . . . 0.0 108.503 -178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -71.31 154.19 41.8 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.715 0.806 . . . . 0.0 109.731 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.62 -21.05 61.89 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.601 1.161 . . . . 0.0 109.71 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -62.33 -22.26 65.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.204 1.402 . . . . 0.0 113.139 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.1 -21.76 10.04 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.702 1.144 . . . . 0.0 113.159 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.5 t -70.13 177.14 3.38 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.197 1.399 . . . . 0.0 110.423 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.06 147.33 32.46 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 127.001 2.12 . . . . 0.0 106.821 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -151.59 145.89 25.44 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.42 135.63 48.92 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.03 160.76 30.93 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.525 1.53 . . . . 0.0 108.685 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.48 149.14 43.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -137.13 129.36 29.57 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -117.34 146.26 43.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 124.757 1.223 . . . . 0.0 108.874 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.88 -156.35 24.25 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.52 154.69 40.83 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -57.62 -42.18 82.83 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -60.24 -24.33 64.78 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.662 1.185 . . . . 0.0 111.971 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -90.36 -55.85 3.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.39 -41.92 69.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.391 0.676 . . . . 0.0 111.373 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.8 m -65.05 -45.48 85.2 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.414 -0.804 . . . . 0.0 109.428 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -63.45 -35.93 82.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.251 0.62 . . . . 0.0 111.121 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -71.98 -38.74 69.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.216 0.607 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.39 80.24 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.298 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.29 -32.28 64.55 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.734 -0.786 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.23 82.72 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.907 -1.12 . . . . 0.0 111.134 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -62.39 -50.71 70.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.211 1.004 . . . . 0.0 110.15 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 -31.25 71.65 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.842 -0.536 . . . . 0.0 112.041 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.42 -36.74 84.72 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 121.935 -0.478 . . . . 0.0 112.203 -178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.39 -5.58 40.75 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.568 -0.708 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.0 mt -107.55 -24.53 11.74 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.432 1.093 . . . . 0.0 110.217 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -53.21 -34.04 55.33 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 127.891 2.477 . . . . 0.0 114.247 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.7 -33.05 67.98 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -113.43 -24.68 9.17 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.207 0.912 . . . . 0.0 111.706 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -84.26 -19.91 33.09 Favored 'General case' 0 C--O 1.226 -0.143 0 O-C-N 121.28 -0.887 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.04 -171.73 35.95 Favored Glycine 0 C--N 1.335 0.482 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -63.37 160.3 16.35 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 122.473 1.13 . . . . 0.0 109.897 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 p-90 -134.49 168.8 18.29 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.188 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 82.4 p -133.46 168.61 18.32 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 127.016 2.126 . . . . 0.0 105.654 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -141.96 158.06 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 O-C-N 121.143 -0.973 . . . . 0.0 110.397 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -141.75 118.96 11.38 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.9 p -82.58 133.96 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 125.568 1.547 . . . . 0.0 109.726 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.56 162.54 34.83 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.178 1.391 . . . . 0.0 108.772 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 55' ' ' GLY . 73.1 m-20 51.55 48.96 21.9 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.516 1.126 . . . . 0.0 109.782 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 66.79 -9.73 0.33 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.246 1.819 . . . . 0.0 112.0 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 53' ' ' ASP . . . 127.82 -0.84 6.78 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 129.073 3.225 . . . . 0.0 111.622 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -67.55 -16.13 64.03 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.058 1.429 . . . . 0.0 110.004 178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 92.2 m -129.56 130.89 46.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -123.88 132.51 53.76 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 124.641 1.176 . . . . 0.0 109.215 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -107.65 111.21 23.32 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 50.0 mt -116.92 125.0 73.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.4 tm0? -126.11 136.71 53.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.069 1.347 . . . . 0.0 107.947 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -103.28 132.12 49.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.481 1.113 . . . . 0.0 109.448 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.5 -59.2 2.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.873 0.869 . . . . 0.0 112.387 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.321 0 C-N-CA 126.736 2.112 . . . . 0.0 108.786 -179.345 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -147.94 108.57 4.16 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.379 1.872 . . . . 0.0 106.804 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -153.54 175.43 13.2 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.4 1.08 . . . . 0.0 111.085 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 m -136.23 175.28 10.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 C-N-CA 127.031 2.132 . . . . 0.0 109.274 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.5 m -130.7 140.49 50.36 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.547 1.539 . . . . 0.0 106.947 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.0 mt -124.84 120.09 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HZ3' HG23 ' A' ' 19' ' ' THR . 11.2 tmtt? -91.16 96.12 10.42 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.328 1.451 . . . . 0.0 107.472 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.25 112.38 22.72 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.822 0.82 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -86.48 131.14 34.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 103.652 -2.722 . . . . 0.0 103.652 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mt -121.95 124.64 44.51 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 104.638 -2.356 . . . . 0.0 104.638 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.1 mt -124.07 100.52 7.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -76.69 152.99 35.54 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.992 1.317 . . . . 0.0 111.623 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.29 -32.47 74.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.685 1.594 . . . . 0.0 110.9 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -60.07 -19.92 55.49 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.264 1.025 . . . . 0.0 111.104 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.3 -10.91 43.47 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 125.214 1.388 . . . . 0.0 110.092 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 m -73.98 160.41 31.37 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 118.009 0.905 . . . . 0.0 108.954 178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 p -128.64 157.91 40.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -151.94 147.07 26.12 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.079 1.352 . . . . 0.0 107.671 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.515 HG23 ' HZ3' ' A' ' 7' ' ' LYS . 18.9 m -129.99 133.73 46.97 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.22 114.81 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.325 1.45 . . . . 0.0 108.192 -179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -97.24 109.62 22.34 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -92.92 136.66 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -127.41 154.85 44.53 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.96 1.304 . . . . 0.0 111.264 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.84 -152.24 17.99 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 125.291 1.424 . . . . 0.0 109.69 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 p -67.95 159.13 31.23 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.511 -0.994 . . . . 0.0 109.407 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -53.56 -51.32 63.33 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.28 1.032 . . . . 0.0 109.966 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -53.52 -54.54 35.85 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.808 1.643 . . . . 0.0 111.602 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.74 -63.45 1.29 Allowed 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 126.104 1.762 . . . . 0.0 111.026 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.91 68.59 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.451 0.7 . . . . 0.0 112.645 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -68.29 -49.59 59.47 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.762 -0.586 . . . . 0.0 109.492 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 t -65.61 -35.34 80.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 118.34 0.518 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.03 -41.19 91.68 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.313 1.045 . . . . 0.0 110.818 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.22 91.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.456 0.302 . . . . 0.0 110.283 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -73.07 -32.48 65.05 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -30.87 66.98 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 124.065 0.946 . . . . 0.0 109.977 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -71.85 -44.22 64.2 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.01 76.63 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.564 -0.71 . . . . 0.0 109.581 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -35.47 77.17 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 111.403 178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -9.15 52.19 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.102 -0.999 . . . . 0.0 110.332 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 33.2 mt -106.63 -13.75 15.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.882 1.673 . . . . 0.0 111.144 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -59.11 -28.14 66.25 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.26 1.824 . . . . 0.0 115.869 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -59.35 -41.65 89.69 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 120.182 1.355 . . . . 0.0 113.65 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -106.15 -22.51 12.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.093 0.86 . . . . 0.0 113.138 -178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -93.6 -20.64 20.01 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.27 -170.38 42.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -66.34 169.45 7.3 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.41 1.1 . . . . 0.0 111.525 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -151.38 173.42 14.54 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 125.581 1.553 . . . . 0.0 109.486 -178.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.8 p -132.29 167.41 19.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -146.5 132.56 13.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 O-C-N 122.087 -0.383 . . . . 0.0 111.631 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.97 141.18 37.79 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -104.27 112.29 37.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.87 174.03 8.22 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.981 1.313 . . . . 0.0 111.116 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 t70 45.63 57.21 5.16 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.604 1.962 . . . . 0.0 110.019 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 57.87 1.42 0.14 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 122.62 14.25 4.39 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.305 -1.275 . . . . 0.0 112.074 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -108.9 -8.39 15.27 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 119.236 1.518 . . . . 0.0 112.56 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.6 m -126.27 103.19 7.53 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 120.076 1.307 . . . . 0.0 107.755 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.6 mt -93.82 131.58 39.07 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -113.72 95.59 5.41 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.7 mt -97.25 129.85 46.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.22 124.85 31.46 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 106.851 -1.536 . . . . 0.0 106.851 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -83.57 127.61 33.87 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 123.352 0.661 . . . . 0.0 110.256 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.05 -59.05 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.73 1.612 . . . . 0.0 108.666 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 122.917 0.294 . . . . 0.0 113.447 179.469 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 ttp . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.18 111.64 2.44 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -132.52 173.18 11.58 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 124.998 1.319 . . . . 0.0 109.691 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.79 172.59 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 127.102 2.161 . . . . 0.0 107.323 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m -126.63 133.49 50.99 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.5 mt -128.08 132.65 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -110.9 139.57 46.12 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.43 119.16 31.28 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.691 0.797 . . . . 0.0 110.173 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -84.77 131.07 34.59 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -111.98 115.01 28.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 104.425 -2.435 . . . . 0.0 104.425 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.69 105.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 -179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -85.49 159.17 19.99 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.109 0.564 . . . . 0.0 112.375 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.62 68.64 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -71.63 6.82 1.71 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.466 1.906 . . . . 0.0 111.905 179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.57 -15.46 7.53 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 120.07 -1.644 . . . . 0.0 112.895 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 p -72.06 159.54 34.01 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 125.666 1.586 . . . . 0.0 109.691 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.3 p -133.24 155.49 49.26 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.774 0.83 . . . . 0.0 109.778 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -152.26 146.93 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.71 2.004 . . . . 0.0 106.176 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.9 m -122.12 137.96 54.63 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.3 150.41 43.59 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -137.39 144.77 42.62 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -139.73 147.15 40.49 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.691 1.596 . . . . 0.0 108.169 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -129.54 148.92 51.49 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 127.447 2.299 . . . . 0.0 107.198 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.58 -155.83 24.97 Favored Glycine 0 C--N 1.331 0.305 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.4 p -69.57 162.66 27.13 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.27 -48.57 80.05 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.16 -51.22 70.53 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.837 1.255 . . . . 0.0 111.267 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -62.87 -58.99 5.5 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.576 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.84 -42.19 62.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 118.745 0.702 . . . . 0.0 111.071 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -61.77 -48.94 78.42 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -63.01 -35.13 79.2 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.21 0.604 . . . . 0.0 112.187 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.66 -41.75 99.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.398 0.999 . . . . 0.0 109.905 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.6 -35.26 77.36 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.125 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -74.28 -31.33 62.49 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.163 -0.336 . . . . 0.0 110.33 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -42.9 89.88 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -64.99 -48.79 72.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.074 0.949 . . . . 0.0 108.482 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.83 -35.39 70.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.424 1.09 . . . . 0.0 111.677 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.78 -36.35 82.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.152 1.381 . . . . 0.0 112.111 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -34.65 78.37 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.689 -0.632 . . . . 0.0 110.357 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -83.33 -15.22 50.9 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.865 1.266 . . . . 0.0 112.819 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -57.71 -27.75 63.22 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.502 1.521 . . . . 0.0 113.804 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.23 -61.15 1.98 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.736 1.153 . . . . 0.0 111.478 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -81.27 -17.85 47.97 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -104.96 -14.26 15.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 119.174 0.897 . . . . 0.0 112.674 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.98 -164.83 32.69 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 119.266 0.939 . . . . 0.0 114.46 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.93 162.62 6.72 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 122.092 0.948 . . . . 0.0 110.236 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -147.02 154.25 40.99 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.667 -1.151 . . . . 0.0 111.475 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.4 p -141.98 118.73 11.09 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 127.319 2.248 . . . . 0.0 108.16 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -94.69 143.06 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.73 141.61 45.13 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.6 t -93.87 126.02 46.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 124.015 0.926 . . . . 0.0 109.62 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.85 152.46 47.84 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 50.87 42.06 27.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.869 1.268 . . . . 0.0 110.358 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 65.97 -1.41 1.13 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.714 2.006 . . . . 0.0 113.062 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.56 -15.0 5.52 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 126.333 1.921 . . . . 0.0 110.463 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -62.28 -12.88 23.13 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 119.727 1.763 . . . . 0.0 111.811 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.6 m -129.27 101.88 6.19 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -96.55 112.13 23.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 107.518 -1.289 . . . . 0.0 107.518 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -94.45 91.06 6.46 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.0 mt -88.78 101.91 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 125.804 1.641 . . . . 0.0 109.295 -177.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -103.34 137.1 41.92 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 126.625 1.97 . . . . 0.0 112.417 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.47 138.46 34.87 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.638 1.175 . . . . 0.0 111.873 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.45 -16.09 33.7 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.246 0.618 . . . . 0.0 111.367 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -178.396 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.018 -0.515 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -143.63 123.56 13.53 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.059 -1.459 . . . . 0.0 107.059 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -142.93 150.37 39.66 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 124.254 1.022 . . . . 0.0 109.719 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.2 m -138.34 162.93 29.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 C-N-CA 124.773 1.229 . . . . 0.0 108.213 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -108.32 118.62 37.24 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 124.401 1.08 . . . . 0.0 108.36 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 21.3 mt -106.02 121.22 58.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -91.37 135.04 34.1 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.78 118.63 31.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -97.87 116.2 29.61 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mp -115.97 103.47 10.63 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.898 0.879 . . . . 0.0 109.929 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mp -92.81 125.83 45.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -95.06 151.48 19.15 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.37 -6.6 50.79 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -90.35 16.13 9.32 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 125.46 1.504 . . . . 0.0 113.967 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.98 -5.94 80.92 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.575 1.083 . . . . 0.0 113.633 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -99.64 175.78 5.7 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 118.748 1.274 . . . . 0.0 109.562 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.6 p -145.89 172.4 13.4 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 124.392 1.077 . . . . 0.0 110.282 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.97 137.21 18.45 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 m -134.21 138.54 45.17 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.29 162.08 36.39 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.649 0.78 . . . . 0.0 111.689 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -135.57 109.16 7.97 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -102.47 144.47 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 106.104 -1.813 . . . . 0.0 106.104 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -128.28 167.42 16.93 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 123.444 0.697 . . . . 0.0 111.526 -178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.02 -158.34 20.93 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 107.124 -2.391 . . . . 0.0 107.124 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.6 p -64.17 158.79 22.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.543 -1.281 . . . . 0.0 107.543 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -50.46 -51.26 48.55 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.279 1.032 . . . . 0.0 111.938 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.23 -35.29 80.04 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -69.41 -52.92 22.28 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 119.244 0.929 . . . . 0.0 110.413 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.32 -26.14 68.26 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 118.464 -1.294 . . . . 0.0 110.727 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -66.21 -54.61 23.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -62.4 -35.43 79.17 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.533 179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.27 -44.71 96.79 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 119.073 0.851 . . . . 0.0 110.473 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.19 90.15 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -73.67 -30.85 63.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.421 -0.8 . . . . 0.0 111.601 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -43.31 78.29 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 125.594 1.558 . . . . 0.0 109.361 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.2 -45.82 68.98 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.124 0.969 . . . . 0.0 109.842 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -31.86 73.12 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.41 -0.806 . . . . 0.0 110.89 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.78 -36.89 83.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.842 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -76.84 7.74 4.45 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.399 1.0 . . . . 0.0 113.051 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.2 mt -123.95 -10.22 7.7 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.39 1.876 . . . . 0.0 109.996 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -64.34 -20.91 66.41 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.852 1.661 . . . . 0.0 114.84 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -84.27 -35.7 23.2 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.399 0.999 . . . . 0.0 111.672 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -92.21 -16.85 25.66 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.477 0.711 . . . . 0.0 112.586 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -117.23 -11.58 10.63 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.69 -173.05 39.73 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-O 121.812 0.673 . . . . 0.0 112.559 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -64.75 162.84 15.18 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.3 p-90 -141.58 158.2 44.13 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.804 0.812 . . . . 0.0 111.793 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.5 p -113.12 158.14 20.76 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -141.1 147.8 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -132.48 136.24 46.56 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.54 105.8 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.519 1.528 . . . . 0.0 107.249 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -125.0 -178.29 4.13 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.786 1.235 . . . . 0.0 109.436 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 42.2 59.22 2.71 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.337 2.255 . . . . 0.0 111.718 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 53.0 17.06 0.82 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.41 7.64 48.49 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 120.916 -1.115 . . . . 0.0 111.938 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -102.83 -10.44 19.09 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.977 1.388 . . . . 0.0 112.585 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.2 m -131.67 119.34 21.25 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 120.483 1.492 . . . . 0.0 108.506 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -104.8 131.08 52.7 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.085 1.354 . . . . 0.0 107.899 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -107.17 97.46 7.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.9 mt -99.82 132.38 45.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -131.44 130.3 42.34 Favored 'General case' 0 CA--C 1.517 -0.294 0 O-C-N 121.072 -1.017 . . . . 0.0 109.587 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -86.35 141.71 29.0 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 106.992 -1.484 . . . . 0.0 106.992 178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.31 -17.98 15.06 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -178.966 . . . . . . . . 0 0 . 1 stop_ save_