data_2lwa_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 2lwa _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 ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -66.46 -38.46 87.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.03 -38.17 88.3 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.19 93.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.714 0.292 . . . . 0.0 110.694 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.47 -45.03 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.06 -45.03 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.612 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.04 -27.67 66.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.85 -42.14 90.81 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.88 0.371 . . . . 0.0 110.547 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.09 -29.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -90.66 -51.28 5.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 32.04 7.41 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 42.16 -145.27 0.83 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -55.22 -50.45 69.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.668 0.27 . . . . 0.0 111.023 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -53.13 -39.52 63.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.564 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.07 -35.05 91.35 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.7 ttp -60.7 -45.71 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.677 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.1 -49.4 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -61.67 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.27 97.8 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -179.721 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 120.793 0.33 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -44.24 97.63 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -54.19 33.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.43 -42.92 96.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.554 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.77 96.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.522 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -29.14 68.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.475 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.61 -46.66 84.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.468 0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.741 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.745 0.307 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.36 95.6 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.36 88.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.74 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.45 -43.77 97.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -64.08 -45.28 89.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.85 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.54 -42.14 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.475 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.748 0.309 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -44.92 94.84 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.1 ttp -58.97 -47.17 86.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.639 0.257 . . . . 0.0 110.697 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -44.09 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.27 77.26 Favored Glycine 0 CA--C 1.519 0.282 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -59.34 -50.61 73.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.915 0.388 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 CA--C 1.53 0.195 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.527 179.599 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.8 tp . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -65.88 -43.54 88.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.327 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.65 82.79 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.96 -44.85 83.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.726 0.298 . . . . 0.0 110.67 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.45 -45.2 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.09 -45.34 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.85 69.9 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.18 -40.7 96.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.85 0.357 . . . . 0.0 110.281 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.14 -30.05 34.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.302 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 3.1 mp0 -92.06 -52.24 4.8 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -107.06 34.77 5.47 Favored Glycine 0 N--CA 1.482 1.704 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 39.46 -145.79 0.25 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -53.84 -51.33 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.792 0.33 . . . . 0.0 111.041 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m -50.6 -37.21 38.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.51 -35.84 90.6 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -60.41 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.616 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.84 -51.71 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.747 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -61.3 -43.15 99.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.784 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.84 -39.17 97.14 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.554 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.724 0.297 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.69 -43.44 99.25 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.69 72.23 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.94 -43.27 97.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.04 92.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.22 -29.62 70.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.84 -45.94 90.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.08 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.76 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.957 0.408 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.69 -39.2 94.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.68 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.13 -44.54 98.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.433 . . . . 0.0 110.069 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -62.86 -41.41 99.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -26.27 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -68.9 -42.67 76.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.36 -40.62 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.956 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -42.1 77.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.54 -42.95 97.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 110.663 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.56 -47.82 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.872 0.367 . . . . 0.0 110.376 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.72 -47.94 78.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.37 -17.99 71.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -73.67 -43.31 59.74 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.725 0.297 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.03 -41.49 90.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.178 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -38.55 89.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.93 93.86 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.68 -45.77 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.99 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.495 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.43 67.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.73 -42.86 85.62 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.097 0.475 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.2 mt -75.46 -22.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -51.21 5.08 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.84 -2.58 34.43 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.021 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 -147.51 27.45 Favored Glycine 0 C--N 1.307 -1.062 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -52.58 -51.0 61.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.353 . . . . 0.0 110.928 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 m -54.56 -39.68 67.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.89 93.16 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.8 ttp -56.72 -48.35 77.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.16 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.91 -46.79 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -39.08 97.34 Favored Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -179.703 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 -43.44 98.04 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.2 74.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.818 0.342 . . . . 0.0 110.653 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.99 -43.15 97.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.82 77.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.37 -44.86 92.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.025 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.472 0.642 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.001 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.53 -37.71 89.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.11 84.77 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.701 0.286 . . . . 0.0 110.758 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.68 -42.66 95.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.949 0.405 . . . . 0.0 110.094 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -62.2 -45.54 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.87 -29.13 67.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.938 0.399 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.11 -42.51 89.1 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.5 mt -82.69 -37.76 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.768 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -43.56 87.49 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 62.5 ttp -56.74 -46.25 81.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.619 0.247 . . . . 0.0 110.775 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.8 -43.8 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.55 -49.46 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.12 84.78 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -52.56 -52.05 56.82 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.479 179.656 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -66.49 -48.55 69.48 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.16 -35.84 79.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.15 80.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.25 -44.24 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.434 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.58 -45.86 77.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.487 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -26.42 66.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -65.77 -41.13 92.43 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.972 0.415 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.91 -34.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.305 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 6.0 mp0 -88.36 -50.74 6.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.14 31.84 7.56 Favored Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.769 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.57 -144.2 0.54 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.4 t-105 -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -57.44 -40.78 79.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.817 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.97 -36.29 90.76 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.5 ttp -58.64 -46.94 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.47 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.428 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.8 mt -61.83 -49.59 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.0 -41.15 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.961 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.82 -40.92 99.84 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.153 0.501 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' B' ' 8' ' ' ALA . . . -65.24 -36.81 93.27 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.81 64.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.99 -45.05 80.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.34 63.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' B' ' 4' ' ' GLY . . . -57.2 -32.29 66.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.516 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.26 -51.15 65.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.414 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mt . . . . . 0 N--CA 1.475 0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.582 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.42 83.46 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.46 77.79 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.517 0.199 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.71 -41.0 88.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.3 62.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.25 77.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.774 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.77 -46.69 77.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.19 -44.45 80.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -41.51 90.11 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 42.9 ttp -61.24 -46.72 89.23 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.18 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.32 -45.11 84.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.45 -37.12 93.43 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -57.61 -52.49 65.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.89 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.474 179.402 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.2 tp . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -64.66 -42.53 95.33 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.547 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.54 -35.64 86.34 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.11 91.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.77 -47.31 86.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.404 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -65.09 -44.16 89.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.41 72.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -64.47 -41.41 96.52 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 120.92 0.391 . . . . 0.0 110.664 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 HG23 ' A' ' 10' ' ' ILE . 95.3 mt -73.27 -26.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.211 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 3.3 mp0 -94.13 -52.18 4.5 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.07 27.85 15.89 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.0 -145.86 2.12 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -55.82 -41.89 74.91 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -59.72 -39.67 85.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.89 89.1 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.21 -49.57 71.61 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.626 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.13 -51.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -57.19 -46.01 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.77 -39.52 97.53 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 110.46 -179.717 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.93 88.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.754 0.311 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.83 -45.37 97.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.45 80.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.59 81.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.94 -43.56 81.63 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.173 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.465 0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.49 -36.33 91.33 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.05 72.07 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.934 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.67 -43.13 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.938 0.399 . . . . 0.0 110.213 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.428 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -63.45 -43.51 97.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.561 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.33 -23.46 54.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -69.12 -44.35 72.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.96 -46.87 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.656 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.25 -42.95 90.21 Favored Glycine 0 C--N 1.334 0.419 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.8 ttp -58.57 -43.7 89.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.668 0.271 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.49 -42.7 87.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.51 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -57.48 -45.99 84.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.38 86.96 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -52.86 63.44 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.263 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.442 179.645 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 tp . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -63.21 -45.0 93.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.57 -32.18 83.3 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.57 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.39 -47.33 78.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.87 88.79 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.84 75.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.42 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 34.7 t80 -59.82 -38.95 83.43 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.41 -37.64 51.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.63 -49.91 9.32 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -110.56 32.25 6.75 Favored Glycine 0 N--CA 1.479 1.524 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.71 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.32 -144.65 0.67 Allowed Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -55.01 -40.78 70.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.362 . . . . 0.0 110.752 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -59.41 -40.2 85.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.642 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -36.85 89.51 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 ttp -54.68 -50.1 69.05 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.673 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.74 -50.17 81.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -45.67 85.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.772 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.58 99.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.751 0.31 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -42.1 99.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.83 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.2 -43.39 95.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.08 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.481 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.4 77.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.482 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.09 -49.28 66.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.133 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 CA--C 1.535 0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.805 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.85 -36.39 92.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.9 76.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.94 -39.45 85.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.48 97.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.88 78.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.83 -43.82 95.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.03 -42.3 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.658 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.792 0.329 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.5 76.06 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 40.1 ttp -57.85 -47.53 82.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.704 0.288 . . . . 0.0 111.078 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -45.74 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.764 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -52.87 -44.51 66.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -40.9 87.17 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -48.15 -58.77 4.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.122 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.659 0.266 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.32 -39.71 94.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.93 91.81 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.53 83.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.33 -44.46 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -64.52 -43.23 94.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.542 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.79 59.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.538 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 37.8 t80 -68.29 -41.11 81.45 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -79.01 -31.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.6 mp0 -81.94 -52.09 7.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.71 -11.43 30.66 Favored Glycine 0 N--CA 1.477 1.428 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 86.36 -147.04 21.27 Favored Glycine 0 N--CA 1.468 0.797 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.412 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -56.91 -40.05 75.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.769 0.319 . . . . 0.0 110.745 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.0 m -65.52 -42.67 91.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.5 -34.46 89.23 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.3 ttp -59.69 -45.91 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.95 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.797 0.332 . . . . 0.0 110.572 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -61.17 -36.72 80.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.682 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.19 -41.44 92.1 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 120.781 0.324 . . . . 0.0 110.684 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.22 -41.49 59.59 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.06 50.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.765 0.316 . . . . 0.0 110.945 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.19 -45.22 99.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.79 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.37 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -63.58 -51.85 63.55 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.056 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.91 0.386 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -35.04 91.48 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.29 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.703 0.287 . . . . 0.0 110.738 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.67 -44.11 98.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.921 0.391 . . . . 0.0 110.01 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.89 98.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.29 73.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.564 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.46 -44.59 82.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 53.0 mt -70.24 -45.25 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.466 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.791 0.329 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.37 89.3 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 28.9 ttp -59.19 -48.88 79.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.68 0.276 . . . . 0.0 110.945 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.03 -48.02 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.869 0.366 . . . . 0.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.54 -48.86 76.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.59 81.28 Favored Glycine 0 C--O 1.23 -0.119 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -59.75 -51.21 70.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.981 0.42 . . . . 0.0 110.106 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.497 179.577 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.798 0.333 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.54 -40.28 89.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.214 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.31 -38.13 84.88 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.82 92.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.34 -45.04 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.77 86.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.1 -26.71 65.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -66.1 -41.15 91.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 120.968 0.413 . . . . 0.0 110.414 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.0 mt -74.12 -26.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.228 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.45 -53.99 3.7 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.18 27.92 15.52 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.46 -145.37 2.73 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.469 ' HE1' HD11 ' A' ' 18' ' ' ILE . 56.6 t-105 -53.28 -52.07 60.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -52.44 -41.54 63.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.94 -38.73 96.49 Favored Glycine 0 C--N 1.314 -0.693 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.2 ttp -57.84 -46.48 84.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.616 0.246 . . . . 0.0 110.635 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HE1' ' A' ' 14' ' ' TRP . 60.6 mt -60.75 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -60.24 -42.68 95.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.83 98.05 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.625 -179.759 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.792 0.329 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.93 98.37 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.401 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.58 -44.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.76 96.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.47 65.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -67.08 -39.17 86.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.537 0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.648 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -35.17 91.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.64 95.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.735 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.36 -44.08 97.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.916 0.388 . . . . 0.0 110.158 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.75 83.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -28.56 65.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -66.39 -39.9 89.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.997 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.11 -41.81 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 120.943 0.402 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.26 -52.57 48.6 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.31 . . . . 0.0 110.726 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.77 -45.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.273 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -55.66 -47.85 76.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.458 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.2 -36.68 93.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -58.46 -54.9 41.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.927 0.394 . . . . 0.0 110.072 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 179.7 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -65.58 -44.7 85.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.414 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.01 69.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.68 83.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.1 -45.97 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.04 80.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.526 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 43.5 t80 -62.22 -40.32 95.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.38 -36.72 55.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -83.71 -53.36 5.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.585 0.231 . . . . 0.0 111.482 -178.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -105.33 34.84 5.48 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 37.56 -145.13 0.13 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -54.02 -50.75 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -49.89 -37.9 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.753 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -37.59 90.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttp -54.11 -50.96 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.46 -53.38 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.3 -46.66 79.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.718 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.84 96.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.358 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.02 -46.71 92.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.57 67.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.714 0.292 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -41.76 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.13 89.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.493 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.05 81.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.33 -43.14 83.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.453 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.867 0.365 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -38.21 94.5 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.54 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -61.43 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.91 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.14 -41.26 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.97 -43.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.515 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.902 0.382 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.63 -41.73 64.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 54.2 ttp -59.28 -45.39 91.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.757 0.313 . . . . 0.0 110.549 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.71 -46.52 88.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.23 84.94 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.47 -54.29 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.875 0.369 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 120.745 0.307 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.476 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.67 -35.74 87.15 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.49 86.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.652 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.72 -45.49 87.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.26 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.69 67.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -66.15 -41.92 89.73 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.953 0.406 . . . . 0.0 110.669 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.08 -28.98 31.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -92.83 -52.39 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.51 29.82 10.42 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.65 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.82 -143.96 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -54.82 -52.44 62.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.724 0.297 . . . . 0.0 110.925 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 m -50.86 -38.42 49.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.695 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.66 85.79 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.4 ttp -55.96 -49.66 72.94 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -62.49 -51.69 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.671 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -56.67 -45.62 81.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -38.49 96.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 -179.878 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.15 -40.56 93.86 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.09 97.16 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.638 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.72 -42.53 95.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.21 -48.48 75.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.49 78.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -51.1 -50.78 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mt . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.0 0.428 . . . . 0.0 110.96 -179.548 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.688 0.28 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -39.61 98.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.99 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.689 0.28 . . . . 0.0 110.741 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.64 -42.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.945 0.402 . . . . 0.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.31 87.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.77 57.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.58 -45.3 94.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.69 -52.61 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.678 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.901 0.382 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.99 96.35 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.9 ttp -59.53 -47.56 85.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.75 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.459 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.11 -45.84 89.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.26 -40.19 91.39 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -55.85 -53.75 52.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 N--CA 1.461 0.123 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -65.93 -44.3 85.52 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.55 -37.29 88.4 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.74 96.67 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 99.4 mt -67.45 -44.55 86.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.5 -44.74 81.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.486 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.87 68.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -63.33 -40.94 98.7 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.042 0.449 . . . . 0.0 110.55 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 10' ' ' ILE . 76.1 mt -71.84 -38.44 65.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.7 mp0 -83.09 -51.56 7.41 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.75 5.96 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.749 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.33 -145.6 0.38 Allowed Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -53.04 -51.22 62.46 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.734 0.302 . . . . 0.0 110.992 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -50.57 -40.17 51.53 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.54 93.7 Favored Glycine 0 C--N 1.312 -0.762 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -57.79 -46.44 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.51 -49.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.577 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.59 -42.98 97.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -39.67 98.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.957 0.408 . . . . 0.0 110.382 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.29 -43.54 99.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.04 71.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.862 0.363 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.64 -43.01 87.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.13 95.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.577 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.04 68.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.464 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.36 -46.6 85.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.826 179.527 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.24 -34.76 90.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.1 91.54 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.67 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.21 -43.89 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.02 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -67.28 -45.78 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.02 94.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.667 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.17 -41.78 93.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.401 HG23 HD12 ' C' ' 10' ' ' ILE . 96.6 mt -74.12 -43.55 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.274 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.513 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.987 0.422 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -44.17 93.75 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.7 ttp -63.25 -50.22 71.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.662 0.267 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.75 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.82 -47.72 83.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.43 -24.93 68.1 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -72.77 -58.2 3.52 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 CA--C 1.529 0.163 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.423 179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 120.826 0.346 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -66.18 -41.02 90.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.91 90.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.49 88.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.67 -44.12 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.31 -45.49 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.5 66.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.594 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.494 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 27.4 t80 -63.35 -40.59 97.69 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.95 -40.39 68.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.233 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.6 mp0 -81.41 -54.08 5.76 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -102.9 31.4 8.79 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 39.72 -146.61 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -53.11 -52.21 59.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -50.53 -38.16 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.74 -36.24 86.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.6 ttp -57.39 -49.03 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.557 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.97 -48.34 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.503 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.76 -47.72 83.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.46 92.47 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.532 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.62 -42.39 94.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.9 63.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.66 -43.1 98.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.947 0.403 . . . . 0.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.11 96.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.06 -22.81 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.523 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.4 -43.62 98.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.298 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.467 0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.643 0.258 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.69 96.43 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.14 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.567 0.222 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.402 HG21 HD12 ' C' ' 6' ' ' ILE . 97.0 mt -63.8 -42.97 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.923 0.392 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.19 99.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.63 71.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.11 -40.79 82.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.35 -44.95 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.333 -0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.685 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.02 -24.37 76.04 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 64.1 ttp -74.54 -47.81 30.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.38 -42.69 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -57.89 -51.78 68.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -33.39 87.13 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -62.55 -54.48 39.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.983 0.42 . . . . 0.0 110.263 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 CA--C 1.531 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.694 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.679 0.276 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -66.77 -40.97 88.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.243 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -38.65 88.0 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.86 88.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.796 0.331 . . . . 0.0 110.603 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -45.14 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.67 88.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.582 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.4 71.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.41 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.478 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 50.4 t80 -60.63 -40.18 90.97 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.96 -38.08 63.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -54.5 4.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -104.2 30.79 9.52 Favored Glycine 0 N--CA 1.474 1.204 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.65 -146.56 0.54 Allowed Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -53.63 -53.3 53.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -50.85 -37.01 40.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.39 -34.91 89.28 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.8 ttp -59.9 -46.64 88.69 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 18' ' ' ILE . 77.7 mt -61.92 -50.18 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.544 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.49 -43.95 96.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.723 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.38 98.01 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 -179.787 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.878 0.371 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.05 99.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.97 9.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.62 -42.31 87.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.88 64.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.26 68.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.2 -50.33 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.339 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 120.783 0.325 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.35 95.42 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.08 75.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.672 0.273 . . . . 0.0 110.814 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.45 -41.83 91.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.194 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.453 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.62 -47.48 78.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.61 -43.84 88.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.3 -46.18 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -39.14 97.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 29.7 ttp -57.96 -53.29 59.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.63 -40.1 78.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.398 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.56 -50.45 71.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -26.97 69.86 Favored Glycine 0 CA--C 1.513 -0.079 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -65.38 -53.91 36.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.951 0.405 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 179.634 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -64.82 -43.44 93.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -36.65 90.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.585 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.1 -45.61 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.38 86.09 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.58 63.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.455 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 32.8 t80 -66.97 -40.57 87.5 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.652 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.3 -19.66 13.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -96.46 -52.3 4.01 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.1 12.81 49.0 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 61.4 -145.98 48.46 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -55.37 -47.84 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.1 m -57.09 -40.29 76.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.743 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.7 91.79 Favored Glycine 0 C--N 1.309 -0.971 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.5 ttp -58.2 -46.85 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 18' ' ' ILE . 68.4 mt -61.56 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.557 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.0 -42.25 89.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.62 96.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.891 0.377 . . . . 0.0 110.619 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.978 0.418 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.01 95.73 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.09 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.705 0.288 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.49 -47.95 84.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.88 0.371 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.36 90.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.469 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.21 73.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -55.67 -44.51 77.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.226 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.466 0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.11 93.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.93 80.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.09 -43.22 98.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.64 97.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.17 -24.52 54.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.11 -43.79 86.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 -40.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -44.38 45.99 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 61.6 ttp -54.26 -48.46 71.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 110.81 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.55 -48.02 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.12 -44.76 83.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.08 -33.61 84.02 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -56.74 -56.26 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.773 0.321 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.276 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.43 -40.07 85.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.219 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.74 76.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.76 77.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.685 0.278 . . . . 0.0 110.629 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.01 -44.15 85.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.85 -45.23 78.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.92 71.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.88 -41.06 97.42 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 120.941 0.4 . . . . 0.0 110.619 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.401 HG23 HD11 ' A' ' 10' ' ' ILE . 96.7 mt -69.84 -39.74 78.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.4 mp0 -82.15 -51.02 8.39 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.51 35.42 4.98 Favored Glycine 0 N--CA 1.482 1.719 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.798 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.19 -144.76 0.19 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.504 ' HE1' HD11 ' A' ' 18' ' ' ILE . 52.9 t-105 -52.45 -52.76 52.45 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 m -49.24 -38.31 26.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.19 -36.68 93.15 Favored Glycine 0 C--N 1.312 -0.794 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 ttp -59.1 -47.44 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.743 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HE1' ' A' ' 14' ' ' TRP . 89.2 mt -62.42 -52.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.629 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.69 -41.78 91.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.794 0.33 . . . . 0.0 110.775 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.39 97.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.658 0.266 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -40.18 98.13 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.62 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.726 0.298 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.17 -43.02 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.2 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.73 82.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.265 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.31 -40.54 71.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.784 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 -34.41 89.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.84 94.89 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 110.769 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.06 -46.45 88.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.206 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -65.59 -48.01 73.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -25.17 68.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.09 -39.72 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.08 -41.49 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.644 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.906 0.384 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -40.95 26.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.3 ttp -67.21 -50.69 59.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.819 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.64 -42.26 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.23 -43.71 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 -34.66 90.49 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.39 -53.6 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 179.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp . . . . . 0 C--O 1.239 0.504 0 CA-C-O 120.791 0.329 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.81 -41.03 92.37 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.86 -39.43 91.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.29 96.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 110.568 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.69 -44.89 89.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.95 -45.06 78.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -24.19 64.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.46 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 42.4 t80 -68.93 -40.25 79.13 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.72 -29.51 20.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -92.14 -56.23 3.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -101.37 28.76 14.52 Favored Glycine 0 N--CA 1.471 0.991 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 42.21 -146.97 0.62 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -54.33 -52.68 60.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.728 0.299 . . . . 0.0 111.015 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -51.51 -38.81 55.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.792 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.04 -38.57 92.68 Favored Glycine 0 C--N 1.313 -0.711 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.77 -47.62 76.72 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.427 HD12 HG21 ' A' ' 18' ' ' ILE . 96.6 mt -61.77 -46.27 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -62.81 -45.03 94.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -39.27 97.39 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 -179.705 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.935 0.397 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.77 -48.65 76.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.53 -51.86 57.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 110.634 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.07 -48.26 86.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.5 91.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.55 80.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -54.15 -44.11 71.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.301 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.639 0.257 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.5 -41.59 76.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.82 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.638 0.256 . . . . 0.0 110.804 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.51 -43.41 86.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 120.893 0.378 . . . . 0.0 110.007 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.89 -47.03 79.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.84 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . 0.528 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 41.3 t80 -69.75 -43.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.57 -42.34 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.606 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.85 0.357 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.44 79.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' MET . . . . . 0.528 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.7 ttp -58.6 -44.24 89.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.768 0.318 . . . . 0.0 110.784 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.93 -43.1 93.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.948 0.404 . . . . 0.0 110.739 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -58.46 -43.05 88.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -36.12 66.55 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.71 -56.83 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.134 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.702 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 CA--C 1.53 0.173 0 CA-C-O 120.821 0.343 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -65.88 -41.67 91.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.236 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.56 -38.21 86.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.55 -46.38 86.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.77 92.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.25 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.461 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 36.1 t80 -65.39 -41.24 93.89 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 120.885 0.374 . . . . 0.0 110.363 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.24 -29.89 22.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.58 -53.72 4.4 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.17 28.63 13.84 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 44.35 -146.25 1.65 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -54.42 -50.33 67.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.442 ' H ' ' HG1' ' A' ' 15' ' ' THR . 2.8 m -53.51 -39.62 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.586 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.87 -36.34 92.01 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.78 -47.26 83.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.466 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.52 -48.82 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.25 -47.95 83.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.48 94.74 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -38.86 95.46 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.56 41.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -66.33 -36.14 76.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.31 -48.12 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.24 67.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.52 -46.67 46.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 N--CA 1.467 0.39 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.826 -179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.64 -35.03 84.47 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.16 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.98 -44.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.02 77.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.417 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.759 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -66.1 -41.02 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.52 -41.9 49.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.725 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.673 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.79 92.97 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.49 -50.67 73.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.604 0.24 . . . . 0.0 111.15 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.93 -42.38 94.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.228 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.28 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.04 66.8 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.62 -48.58 38.38 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.929 0.395 . . . . 0.0 110.265 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 tp . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.625 0.25 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -65.27 -39.53 92.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.051 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.52 91.18 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.62 95.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.67 -45.37 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.09 87.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -68.79 -28.07 66.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.82 -40.88 92.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.26 -27.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -54.7 3.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -103.97 30.88 9.39 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.83 -148.16 0.43 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -56.18 -38.97 71.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.682 0.277 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 m -61.26 -36.22 79.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.62 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -70.54 -36.11 68.2 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -59.04 -45.8 89.85 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.17 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 18' ' ' ILE . 53.5 mt -62.92 -51.11 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.61 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.94 -22.32 65.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.89 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.49 -40.47 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.699 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.45 57.48 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -53.64 47.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.77 0.319 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 88.5 mt -66.58 -43.15 90.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -45.5 92.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.97 65.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -59.38 -49.7 76.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.691 0.281 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -39.53 96.42 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.46 80.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 120.57 0.224 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.31 -41.49 78.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.954 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.256 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.43 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.528 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 26.8 t80 -67.93 -46.17 72.27 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.46 -46.74 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.824 0.345 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.96 -37.6 92.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.9 ttp -60.07 -52.28 66.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.604 0.24 . . . . 0.0 111.105 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -61.98 -43.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 0.0 110.437 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.96 -47.04 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.797 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.61 -24.81 71.3 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.28 -57.12 9.24 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.04 0.448 . . . . 0.0 110.484 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.884 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -65.37 -45.43 84.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -36.85 76.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.27 79.16 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.48 -43.84 90.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -67.33 -45.03 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.08 64.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.0 -41.37 74.44 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -73.19 -28.77 26.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 0.6 OUTLIER -92.42 -52.9 4.44 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -106.79 32.76 6.96 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.69 -146.13 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -54.41 -53.06 59.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -50.83 -39.01 52.26 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.89 -37.86 93.7 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 ttp -58.5 -45.77 88.05 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.02 -47.33 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 110.599 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -63.97 -39.84 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.12 -40.35 96.85 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.475 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.66 -44.14 97.14 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -55.81 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.62 -41.18 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.222 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.06 79.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -24.11 67.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -69.56 -41.27 76.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.174 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -37.02 89.17 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.73 91.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.609 0.242 . . . . 0.0 110.907 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -42.55 96.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 0.0 110.019 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -63.08 -46.16 88.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.33 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -69.78 -42.19 74.13 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -77.76 -32.94 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.466 0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 120.767 0.317 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.3 96.83 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.0 ttp -58.37 -44.44 88.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.289 . . . . 0.0 111.084 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.47 -45.1 98.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.73 -45.81 77.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.08 95.68 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -52.11 -53.03 47.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.986 0.422 . . . . 0.0 110.272 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.463 0.205 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.604 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -65.52 -40.77 93.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.253 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 -39.03 91.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.07 96.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.52 -47.39 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.03 92.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -30.07 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.37 -39.8 88.53 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.919 0.39 . . . . 0.0 110.491 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -38.46 50.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.372 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -79.91 -54.64 5.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.26 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 34.06 5.93 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.18 -144.94 0.59 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -56.66 -34.97 67.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -41.45 97.74 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.45 86.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttp -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.523 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.58 -50.24 81.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.78 -44.77 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.47 -38.66 96.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.741 -179.622 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.855 0.36 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.38 -50.79 61.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.21 66.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.326 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.05 -42.87 89.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -28.63 67.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.853 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.76 92.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.7 87.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.615 0.245 . . . . 0.0 110.925 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.16 -47.61 91.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.952 0.406 . . . . 0.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.37 -44.13 92.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.33 -27.24 64.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.34 -39.66 92.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 68.5 mt -79.66 -40.61 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.179 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.359 . . . . 0.0 110.42 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.46 75.54 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 63.8 ttp -61.6 -42.5 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.67 0.271 . . . . 0.0 110.728 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . 0.423 HG23 HD13 ' C' ' 18' ' ' ILE . 61.9 mt -63.66 -49.09 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.61 -44.25 80.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.545 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.42 82.87 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.3 -54.4 47.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.832 0.349 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.436 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.95 -58.4 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.474 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -66.46 -38.46 87.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.03 -38.17 88.3 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.19 93.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.714 0.292 . . . . 0.0 110.694 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.47 -45.03 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.06 -45.03 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.612 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.04 -27.67 66.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.85 -42.14 90.81 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.88 0.371 . . . . 0.0 110.547 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.09 -29.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -90.66 -51.28 5.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 32.04 7.41 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 42.16 -145.27 0.83 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -55.22 -50.45 69.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.668 0.27 . . . . 0.0 111.023 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -53.13 -39.52 63.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.564 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.07 -35.05 91.35 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.7 ttp -60.7 -45.71 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.677 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.1 -49.4 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -61.67 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.27 97.8 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -64.01 -43.75 94.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -86.79 -0.24 56.02 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.427 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.1 89.32 1.09 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.582 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.9 tp -49.18 -49.81 40.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.744 0.307 . . . . 0.0 110.607 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -55.46 -48.68 74.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -44.24 97.63 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -54.19 33.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.43 -42.92 96.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.554 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.77 96.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.522 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -67.43 -29.14 68.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.475 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.61 -46.66 84.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt -82.7 -57.52 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 13' ' ' GLY . 10.1 mp0 -75.97 -49.29 18.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.997 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.84 16.66 1.86 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.511 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 69.9 136.16 0.1 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.416 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 52.8 p-90 -80.35 -32.27 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.933 0.397 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.416 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 23.6 m -82.94 -27.96 30.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.674 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.86 -46.42 83.57 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 18.8 ttp -62.81 -40.71 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.971 0.415 . . . . 0.0 110.453 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.49 -43.55 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -58.15 -38.41 76.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.52 83.64 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -57.81 -42.15 83.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.768 0.318 . . . . 0.0 110.498 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.01 -38.72 76.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.76 88.16 0.37 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.317 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.53 -51.29 67.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -60.44 -47.03 87.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.36 95.6 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.36 88.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.74 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.45 -43.77 97.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -64.08 -45.28 89.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.85 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.54 -42.14 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.475 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' C' ' 13' ' ' GLY . 1.0 OUTLIER -56.6 -25.8 53.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.7 -179.626 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.29 3.03 8.35 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 78.26 124.05 0.32 Allowed Glycine 0 N--CA 1.462 0.368 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -62.51 -27.45 69.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.309 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m -77.57 -20.38 54.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -44.92 94.84 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.1 ttp -58.97 -47.17 86.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.639 0.257 . . . . 0.0 110.697 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -44.09 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.27 77.26 Favored Glycine 0 CA--C 1.519 0.282 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -59.34 -50.61 73.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.915 0.388 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -72.85 -40.29 65.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.527 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.25 53.52 1.46 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.565 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.676 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.67 -46.02 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -65.88 -43.54 88.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.327 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.65 82.79 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.96 -44.85 83.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.726 0.298 . . . . 0.0 110.67 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.45 -45.2 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.09 -45.34 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.85 69.9 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.18 -40.7 96.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.85 0.357 . . . . 0.0 110.281 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.14 -30.05 34.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.302 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 3.1 mp0 -92.06 -52.24 4.8 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -107.06 34.77 5.47 Favored Glycine 0 N--CA 1.482 1.704 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 39.46 -145.79 0.25 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -53.84 -51.33 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.792 0.33 . . . . 0.0 111.041 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m -50.6 -37.21 38.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.51 -35.84 90.6 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -60.41 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.616 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.0 mt -62.84 -51.71 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.747 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -61.3 -43.15 99.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.784 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.84 -39.17 97.14 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -63.03 -45.0 94.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.554 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -69.09 -35.45 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.76 4.88 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.557 -179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.8 -44.25 93.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.816 0.341 . . . . 0.0 110.268 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -63.34 -39.29 94.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.69 -43.44 99.25 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.69 72.23 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.94 -43.27 97.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.04 92.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.474 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -65.22 -29.62 70.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.84 -45.94 90.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.08 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt -84.86 -56.93 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.76 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' B' ' 13' ' ' GLY . 1.4 mp0 -75.35 -48.5 22.75 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -74.29 11.8 6.25 Favored Glycine 0 N--CA 1.464 0.52 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 76.34 136.29 0.65 Allowed Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.501 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 43.7 p-90 -80.66 -38.95 28.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.191 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.501 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 7.4 m -79.28 -25.76 42.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.79 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.21 -33.49 64.82 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 22.3 ttp -74.6 -36.48 62.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.859 0.361 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 91.4 mt -67.94 -42.39 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.056 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.407 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.82 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.85 74.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -57.49 -39.37 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.835 0.35 . . . . 0.0 110.449 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -77.77 -37.94 47.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.46 105.32 2.16 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.54 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 60.2 tp -52.85 -52.67 56.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -63.43 -44.37 94.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.69 -39.2 94.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.68 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.13 -44.54 98.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.433 . . . . 0.0 110.069 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -62.86 -41.41 99.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -26.27 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -68.9 -42.67 76.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.36 -40.62 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.956 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.9 OUTLIER -54.66 -25.62 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.44 -0.89 25.99 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.96 113.57 0.61 Allowed Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -55.68 -35.56 66.16 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.935 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m -74.74 -19.09 60.37 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -42.1 77.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.54 -42.95 97.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 110.663 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.56 -47.82 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.872 0.367 . . . . 0.0 110.376 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.72 -47.94 78.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.37 -17.99 71.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -73.67 -43.31 59.74 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -80.4 -25.17 39.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.62 44.41 3.09 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.621 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.233 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.36 -45.54 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.725 0.297 . . . . 0.0 110.219 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.03 -41.49 90.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.178 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -38.55 89.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.93 93.86 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.68 -45.77 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.99 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.495 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.43 67.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.73 -42.86 85.62 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.097 0.475 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.2 mt -75.46 -22.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -51.21 5.08 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.84 -2.58 34.43 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.021 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 -147.51 27.45 Favored Glycine 0 C--N 1.307 -1.062 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -52.58 -51.0 61.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.353 . . . . 0.0 110.928 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 m -54.56 -39.68 67.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.89 93.16 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.8 ttp -56.72 -48.35 77.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.16 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.91 -46.79 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -39.08 97.34 Favored Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -61.52 -49.5 76.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -70.45 -34.97 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.488 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.1 106.14 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.516 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.54 -41.35 69.24 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -64.64 -38.75 92.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 -43.44 98.04 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.2 74.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.818 0.342 . . . . 0.0 110.653 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.99 -43.15 97.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.82 77.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.449 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.355 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.37 -44.86 92.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.025 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 80.2 mt -87.86 -58.59 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.001 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -70.71 -46.24 63.45 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.759 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.32 4.96 23.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.8 111.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -62.03 -38.49 88.88 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.033 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.9 m -66.7 -37.79 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 110.26 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.6 -31.33 67.99 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 23.8 ttp -68.54 -41.49 79.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -64.07 -42.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.62 -40.19 90.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.466 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.54 94.16 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -56.36 -38.49 71.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -69.74 -41.89 74.67 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.95 87.53 0.47 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.551 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.75 -49.12 78.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.833 0.349 . . . . 0.0 110.571 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -62.24 -41.63 98.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.53 -37.71 89.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.11 84.77 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.701 0.286 . . . . 0.0 110.758 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.68 -42.66 95.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.949 0.405 . . . . 0.0 110.094 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -62.2 -45.54 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.87 -29.13 67.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.938 0.399 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.11 -42.51 89.1 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.5 mt -82.69 -37.76 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.3 OUTLIER -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.768 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.27 4.17 5.1 Favored Glycine 0 C--N 1.34 0.79 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 90.12 110.17 1.38 Allowed Glycine 0 N--CA 1.467 0.756 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.0 OUTLIER -61.41 -24.78 66.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.896 0.379 . . . . 0.0 110.368 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' THR . . . . . 0.546 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 5.8 m -75.38 -15.91 60.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -43.56 87.49 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 62.5 ttp -56.74 -46.25 81.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.619 0.247 . . . . 0.0 110.775 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.8 -43.8 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.55 -49.46 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.12 84.78 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -52.56 -52.05 56.82 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.3 -41.97 55.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.71 83.43 1.03 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.631 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.24 -45.63 72.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.58 0.69 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -66.49 -48.55 69.48 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.16 -35.84 79.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.15 80.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.25 -44.24 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.434 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.58 -45.86 77.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.487 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -26.42 66.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -65.77 -41.13 92.43 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.972 0.415 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.91 -34.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.305 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 6.0 mp0 -88.36 -50.74 6.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.14 31.84 7.56 Favored Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.769 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.57 -144.2 0.54 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.4 t-105 -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -57.44 -40.78 79.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.817 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.97 -36.29 90.76 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.5 ttp -58.64 -46.94 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.47 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.428 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.8 mt -61.83 -49.59 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.0 -41.15 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.961 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.82 -40.92 99.84 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -62.14 -44.97 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -83.04 -0.55 49.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.38 81.82 0.7 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.3 tp -65.06 -46.92 79.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.686 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -56.72 -46.75 81.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' B' ' 8' ' ' ALA . . . -65.24 -36.81 93.27 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.81 64.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.99 -45.05 80.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.34 63.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HA ' ' H ' ' B' ' 12' ' ' GLY . . . -57.2 -32.29 66.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.516 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.26 -51.15 65.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.414 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mt -87.83 -43.75 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' B' ' 13' ' ' GLY . 16.6 mp0 -81.25 -62.61 1.61 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.001 0.429 . . . . 0.0 110.581 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.499 ' H ' ' HA ' ' B' ' 8' ' ' ALA . . . -72.02 23.0 0.72 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 71.28 142.67 0.28 Allowed Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.494 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 19.7 p-90 -80.42 -39.54 28.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.763 0.316 . . . . 0.0 110.548 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.494 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 8.6 m -75.36 -20.16 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.65 97.16 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.94 -38.98 87.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.974 0.416 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.02 -43.56 97.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.546 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -43.06 94.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.08 94.37 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -64.22 -38.79 92.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.842 0.353 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.91 -41.07 62.63 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.454 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.77 87.88 0.11 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.561 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.85 -47.41 85.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 110.479 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -70.21 -37.55 75.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.343 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.42 83.46 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.46 77.79 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.517 0.199 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.71 -41.0 88.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.3 62.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.25 77.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.774 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.77 -46.69 77.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.512 ' C ' ' H ' ' C' ' 12' ' ' GLY . 96.1 mt -69.19 -44.45 80.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER -59.77 -0.75 0.21 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . 0.512 ' H ' ' C ' ' C' ' 10' ' ' ILE . . . -77.27 12.57 12.83 Favored Glycine 0 C--N 1.339 0.719 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.25 125.28 0.09 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -52.44 -37.37 56.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.852 0.358 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.1 m -73.66 -22.16 60.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.676 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -41.51 90.11 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 42.9 ttp -61.24 -46.72 89.23 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.18 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.32 -45.11 84.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.45 -37.12 93.43 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -57.61 -52.49 65.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.89 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.22 -39.86 74.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.474 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.29 41.25 2.9 Favored Glycine 0 N--CA 1.465 0.623 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.578 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.2 tp -59.62 -48.52 81.35 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.389 -0.525 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -64.66 -42.53 95.33 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.547 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.54 -35.64 86.34 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.11 91.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.77 -47.31 86.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.404 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -65.09 -44.16 89.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.41 72.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -64.47 -41.41 96.52 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 120.92 0.391 . . . . 0.0 110.664 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.403 HD12 HG23 ' A' ' 10' ' ' ILE . 95.3 mt -73.27 -26.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.211 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 3.3 mp0 -94.13 -52.18 4.5 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.07 27.85 15.89 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.0 -145.86 2.12 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 24.8 t-105 -55.82 -41.89 74.91 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -59.72 -39.67 85.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.89 89.1 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.21 -49.57 71.61 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.626 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.13 -51.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.478 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -57.19 -46.01 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.77 -39.52 97.53 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -63.22 -46.95 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 110.46 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -70.41 -31.1 68.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.59 96.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.486 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.48 -44.11 97.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.492 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -64.68 -33.21 75.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.448 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.93 88.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.754 0.311 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.83 -45.37 97.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.45 80.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.513 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -60.46 -37.59 81.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.94 -43.56 81.63 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.173 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -85.85 -57.75 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' B' ' 13' ' ' GLY . 16.0 mp0 -75.86 -46.87 28.0 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.27 10.05 5.07 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.65 118.13 0.01 OUTLIER Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -63.93 -39.03 93.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 6.9 m -70.97 -36.16 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.49 -37.5 93.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.81 -39.06 90.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.511 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.13 -44.55 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.55 -38.17 80.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.24 99.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -60.71 -42.75 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.469 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.94 -40.01 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.522 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.32 95.68 0.02 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.55 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.25 -51.28 70.21 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.453 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.14 -41.03 95.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.49 -36.33 91.33 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.05 72.07 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.934 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.67 -43.13 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.938 0.399 . . . . 0.0 110.213 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.428 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -63.45 -43.51 97.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.561 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.33 -23.46 54.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -69.12 -44.35 72.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.96 -46.87 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER -62.63 -25.18 67.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.656 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.45 -0.96 26.46 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.96 122.84 0.54 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.683 0.278 . . . . 0.0 110.436 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.7 m -65.47 -22.02 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.626 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.25 -42.95 90.21 Favored Glycine 0 C--N 1.334 0.419 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.8 ttp -58.57 -43.7 89.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.668 0.271 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.49 -42.7 87.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.51 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -57.48 -45.99 84.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.38 86.96 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -52.86 63.44 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.263 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.82 -38.24 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.442 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.23 57.52 4.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.527 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.54 -48.79 76.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.86 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -63.21 -45.0 93.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.57 -32.18 83.3 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.57 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.39 -47.33 78.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.87 88.79 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.84 75.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.42 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 34.7 t80 -59.82 -38.95 83.43 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.41 -37.64 51.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.63 -49.91 9.32 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -110.56 32.25 6.75 Favored Glycine 0 N--CA 1.479 1.524 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.71 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.32 -144.65 0.67 Allowed Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -55.01 -40.78 70.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.362 . . . . 0.0 110.752 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -59.41 -40.2 85.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.642 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -36.85 89.51 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 ttp -54.68 -50.1 69.05 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.673 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.74 -50.17 81.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -45.67 85.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.772 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.58 99.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -61.34 -40.82 95.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' SER . 12.2 m-85 -79.05 -38.22 37.0 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.679 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.52 93.95 0.01 OUTLIER Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.9 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.584 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.454 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.03 -46.08 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.688 0.28 . . . . 0.0 110.537 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -60.69 -41.39 95.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.484 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -42.1 99.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.83 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.2 -43.39 95.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.08 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.481 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -63.84 -34.4 77.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.482 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' TRP . 17.0 t80 -53.09 -49.28 66.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.133 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.68 -58.35 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' B' ' 13' ' ' GLY . 23.4 mp0 -69.34 -51.19 39.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.803 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -72.26 15.32 2.0 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 59.22 116.52 0.01 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 9' ' ' PHE . 39.3 p-90 -59.14 -31.05 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.919 0.39 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.5 m -79.66 -25.4 41.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.73 -42.76 92.99 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 11.5 ttp -60.59 -39.45 88.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.67 -43.16 96.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.624 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -63.12 -38.1 89.82 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -51.42 56.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -53.76 -44.62 70.16 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.838 0.351 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.02 -42.6 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.39 95.3 0.01 OUTLIER Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.486 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.83 -53.04 62.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.763 0.316 . . . . 0.0 110.475 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -63.24 -33.33 75.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.85 -36.39 92.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.9 76.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.94 -39.45 85.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.48 97.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.88 78.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.83 -43.82 95.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.03 -42.3 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.658 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -52.8 -26.66 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.69 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.29 -0.45 22.35 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.64 139.77 0.8 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -74.37 -36.93 63.59 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 23.8 m -70.41 -23.06 62.68 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.5 76.06 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 40.1 ttp -57.85 -47.53 82.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.704 0.288 . . . . 0.0 111.078 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -45.74 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.764 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -52.87 -44.51 66.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -40.9 87.17 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -48.15 -58.77 4.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.122 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -64.69 -30.33 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.73 91.23 1.67 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp -62.65 -52.38 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.32 -39.71 94.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.93 91.81 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.53 83.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.33 -44.46 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -64.52 -43.23 94.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.542 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.79 59.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.538 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 37.8 t80 -68.29 -41.11 81.45 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -79.01 -31.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.6 mp0 -81.94 -52.09 7.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.71 -11.43 30.66 Favored Glycine 0 N--CA 1.477 1.428 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 86.36 -147.04 21.27 Favored Glycine 0 N--CA 1.468 0.797 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.412 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -56.91 -40.05 75.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.769 0.319 . . . . 0.0 110.745 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.0 m -65.52 -42.67 91.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.5 -34.46 89.23 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.3 ttp -59.69 -45.91 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.95 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.797 0.332 . . . . 0.0 110.572 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -61.17 -36.72 80.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.682 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.19 -41.44 92.1 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -69.87 -35.5 74.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.781 0.324 . . . . 0.0 110.684 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -77.13 -39.79 47.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.555 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.66 108.0 0.46 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.515 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.26 -44.33 92.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.441 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -68.8 -38.05 79.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.22 -41.49 59.59 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.06 50.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.765 0.316 . . . . 0.0 110.945 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.19 -45.22 99.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -67.91 -46.79 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.493 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -61.44 -28.37 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -63.58 -51.85 63.55 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.12 -53.72 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.52 ' C ' ' H ' ' B' ' 13' ' ' GLY . 24.6 mp0 -80.22 -51.46 8.92 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.344 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.46 18.45 1.28 Allowed Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.52 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 64.61 138.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -79.99 -32.02 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.33 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 4.8 m -82.18 -25.53 34.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.39 -43.36 99.17 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.7 ttp -65.81 -44.24 86.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.6 mt -58.87 -44.51 90.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.86 -43.67 98.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.79 93.44 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -70.2 -40.77 74.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -38.36 77.55 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 96.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.569 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' C' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tp -52.05 -57.03 10.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.806 0.336 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -62.07 -46.76 87.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -35.04 91.48 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' C' ' 1' ' ' GLY . . . -66.85 -46.29 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.703 0.287 . . . . 0.0 110.738 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.67 -44.11 98.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.921 0.391 . . . . 0.0 110.01 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.89 98.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.29 73.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.564 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.46 -44.59 82.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.429 ' C ' ' N ' ' C' ' 12' ' ' GLY . 53.0 mt -70.24 -45.25 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER -49.64 -15.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.466 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' C' ' 10' ' ' ILE . . . -70.89 4.46 9.97 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.97 126.7 0.13 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -61.59 -36.04 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.713 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -73.39 -22.72 60.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.643 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.37 89.3 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 28.9 ttp -59.19 -48.88 79.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.68 0.276 . . . . 0.0 110.945 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.03 -48.02 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.869 0.366 . . . . 0.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.54 -48.86 76.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.59 81.28 Favored Glycine 0 C--O 1.23 -0.119 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -59.75 -51.21 70.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.981 0.42 . . . . 0.0 110.106 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . 0.475 ' C ' ' H ' ' C' ' 24' ' ' SER . 53.8 m-85 -68.89 -39.62 79.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.497 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.93 39.73 0.8 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.475 ' H ' ' C ' ' C' ' 22' ' ' TYR . 27.8 t . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.579 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp -60.81 -54.07 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.798 0.333 . . . . 0.0 110.195 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.54 -40.28 89.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.214 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.31 -38.13 84.88 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.82 92.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.34 -45.04 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.77 86.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.1 -26.71 65.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.524 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -66.1 -41.15 91.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 120.968 0.413 . . . . 0.0 110.414 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.0 mt -74.12 -26.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.228 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.45 -53.99 3.7 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.18 27.92 15.52 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.46 -145.37 2.73 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.469 ' HE1' HD11 ' A' ' 18' ' ' ILE . 56.6 t-105 -53.28 -52.07 60.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -52.44 -41.54 63.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.94 -38.73 96.49 Favored Glycine 0 C--N 1.314 -0.693 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.2 ttp -57.84 -46.48 84.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.616 0.246 . . . . 0.0 110.635 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HE1' ' A' ' 14' ' ' TRP . 60.6 mt -60.75 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -60.24 -42.68 95.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.83 98.05 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -64.41 -43.88 92.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.625 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -63.12 -29.93 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.447 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.47 129.73 29.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.484 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.37 -34.27 47.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.773 0.321 . . . . 0.0 110.421 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -59.75 -43.09 94.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.93 98.37 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.401 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.58 -44.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.76 96.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -68.43 -26.47 65.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -67.08 -39.17 86.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -84.59 -49.43 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' B' ' 13' ' ' GLY . 1.4 mp0 -78.09 -46.5 20.59 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -78.15 16.76 6.86 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 66.83 142.63 0.06 OUTLIER Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' B' ' 14' ' ' TRP . 19.4 p-90 -79.73 -40.56 28.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.343 . . . . 0.0 110.637 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -76.98 -18.24 58.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.85 -50.78 22.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 23.8 ttp -65.39 -40.48 93.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.786 0.327 . . . . 0.0 110.542 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.39 -43.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.28 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.83 -42.84 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.422 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.63 -41.74 97.5 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -60.62 -46.84 88.77 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.24 -35.78 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.31 89.21 0.34 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.222 -0.372 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.555 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 31.6 tp -56.71 -57.14 13.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -64.39 -41.64 96.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -35.17 91.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.64 95.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.735 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.36 -44.08 97.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.916 0.388 . . . . 0.0 110.158 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.75 83.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -28.56 65.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -66.39 -39.9 89.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.997 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.11 -41.81 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.7 OUTLIER -52.6 -40.34 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.569 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.5 6.29 4.73 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.477 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 68.99 99.24 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . 0.575 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.6 OUTLIER -57.49 -25.94 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' THR . . . . . 0.575 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 2.9 m -81.25 -25.15 36.83 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.378 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.26 -52.57 48.6 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.31 . . . . 0.0 110.726 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.77 -45.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.273 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -55.66 -47.85 76.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.458 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.2 -36.68 93.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -58.46 -54.9 41.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.927 0.394 . . . . 0.0 110.072 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -63.76 -37.74 88.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.28 92.45 0.41 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.608 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.1 tp -51.87 -55.59 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -65.58 -44.7 85.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.414 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.01 69.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.68 83.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.1 -45.97 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.04 80.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.526 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 43.5 t80 -62.22 -40.32 95.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.38 -36.72 55.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -83.71 -53.36 5.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.585 0.231 . . . . 0.0 111.482 -178.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -105.33 34.84 5.48 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.526 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 37.56 -145.13 0.13 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 29.6 t-105 -54.02 -50.75 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -49.89 -37.9 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.753 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -37.59 90.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttp -54.11 -50.96 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.46 -53.38 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.3 -46.66 79.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.718 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.84 96.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -61.16 -45.91 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.54 -35.18 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.03 104.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.447 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -46.01 91.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.689 0.281 . . . . 0.0 110.602 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -60.98 -45.3 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.02 -46.71 92.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.57 67.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.714 0.292 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -41.76 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.441 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.69 -46.13 89.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.493 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.527 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -61.19 -37.05 81.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.33 -43.14 83.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.453 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.51 -57.41 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 13' ' ' GLY . 21.7 mp0 -75.62 -49.83 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.37 25.77 0.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.02 132.76 0.01 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.509 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 61.9 p-90 -79.64 -36.66 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.567 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.509 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 15.7 m -77.26 -25.17 51.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.81 79.84 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.86 -39.0 80.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 110.685 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.59 -43.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.442 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.45 -40.78 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.495 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.03 -46.06 94.26 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -64.12 -46.05 85.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.338 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.23 -34.53 77.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.06 105.56 1.72 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.479 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.95 -56.13 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -63.53 -42.15 98.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -38.21 94.5 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.54 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -61.43 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.91 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.14 -41.26 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.97 -43.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.3 OUTLIER -53.5 -24.93 14.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.515 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.09 7.87 2.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.1 132.88 0.19 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -67.84 -44.45 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.522 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.585 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.63 -41.73 64.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 54.2 ttp -59.28 -45.39 91.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.757 0.313 . . . . 0.0 110.549 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.71 -46.52 88.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.23 84.94 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.47 -54.29 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.875 0.369 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -66.43 -37.08 84.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.18 103.48 0.73 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.573 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.25 -46.63 85.98 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.218 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.476 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.67 -35.74 87.15 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.49 86.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.652 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.72 -45.49 87.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.26 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.69 67.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -66.15 -41.92 89.73 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.953 0.406 . . . . 0.0 110.669 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.08 -28.98 31.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -92.83 -52.39 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.51 29.82 10.42 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.65 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.82 -143.96 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -54.82 -52.44 62.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.724 0.297 . . . . 0.0 110.925 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 m -50.86 -38.42 49.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.695 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.66 85.79 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.4 ttp -55.96 -49.66 72.94 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -62.49 -51.69 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.671 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -56.67 -45.62 81.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -38.49 96.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.62 -46.77 86.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 24' ' ' SER . 27.2 m-85 -76.49 -34.58 58.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.59 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.12 88.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.1 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.65 -50.35 74.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.857 0.36 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.96 -44.93 95.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.15 -40.56 93.86 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.09 97.16 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.638 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.72 -42.53 95.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.412 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -64.21 -48.48 75.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -64.43 -34.49 78.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' TRP . 45.0 t80 -51.1 -50.78 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mt -82.43 -59.04 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.0 0.428 . . . . 0.0 110.96 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 13' ' ' GLY . 26.0 mp0 -71.96 -51.94 19.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -71.03 12.37 2.24 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 72.6 126.28 0.09 OUTLIER Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' B' ' 9' ' ' PHE . 58.4 p-90 -68.91 -26.71 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.386 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 66.2 m -82.59 -15.76 51.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.68 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.6 51.47 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 10.5 ttp -56.92 -39.92 75.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.451 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.65 -45.3 99.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -55.19 -41.62 72.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.3 94.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -62.88 -45.58 91.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.897 0.38 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -74.25 -11.1 60.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.439 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.92 74.61 0.47 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.561 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.462 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.98 -50.22 69.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.4 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -64.95 -38.93 92.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -39.61 98.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.99 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.689 0.28 . . . . 0.0 110.741 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.64 -42.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.945 0.402 . . . . 0.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.31 87.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.77 57.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.58 -45.3 94.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.69 -52.61 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.678 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.37 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.63 -1.78 54.18 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.85 146.6 4.88 Favored Glycine 0 N--CA 1.465 0.603 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -77.56 -32.22 53.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -78.14 -17.95 56.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.99 96.35 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.9 ttp -59.53 -47.56 85.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.75 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.459 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.11 -45.84 89.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.26 -40.19 91.39 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -55.85 -53.75 52.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.21 -28.97 69.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.75 73.4 1.21 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.636 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.094 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.45 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -65.93 -44.3 85.52 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.55 -37.29 88.4 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.74 96.67 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 99.4 mt -67.45 -44.55 86.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.5 -44.74 81.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.486 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.87 68.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -63.33 -40.94 98.7 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.042 0.449 . . . . 0.0 110.55 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 10' ' ' ILE . 76.1 mt -71.84 -38.44 65.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.7 mp0 -83.09 -51.56 7.41 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.75 5.96 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.749 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.33 -145.6 0.38 Allowed Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -53.04 -51.22 62.46 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.734 0.302 . . . . 0.0 110.992 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -50.57 -40.17 51.53 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.54 93.7 Favored Glycine 0 C--N 1.312 -0.762 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -57.79 -46.44 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.51 -49.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.577 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.59 -42.98 97.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -39.67 98.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -60.26 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.957 0.408 . . . . 0.0 110.382 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -66.77 -34.68 78.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.41 106.8 0.07 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.2 -34.3 76.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -60.96 -41.78 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.482 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.29 -43.54 99.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.04 71.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.862 0.363 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.64 -43.01 87.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.13 95.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.577 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -65.7 -27.04 68.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.464 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.36 -46.6 85.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 -54.28 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.826 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 16.8 mp0 -74.08 -48.29 30.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.971 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -78.1 19.08 4.67 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 65.81 146.75 0.06 OUTLIER Glycine 0 CA--C 1.518 0.258 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.522 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 19.9 p-90 -80.9 -48.13 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.522 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 90.5 m -68.55 -30.42 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.05 -43.38 97.01 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttp -65.73 -44.61 85.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.688 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.58 -41.72 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -61.15 -44.31 97.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.386 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.72 -41.28 95.77 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 22.8 t-105 -63.62 -47.1 82.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' B' ' 24' ' ' SER . 11.2 m-85 -67.97 -42.57 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.75 79.64 0.02 OUTLIER Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 22' ' ' TYR . 14.9 t . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.85 -56.29 23.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.57 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.25 -43.08 99.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.74 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.24 -34.76 90.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.1 91.54 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.67 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.21 -43.89 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.02 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -67.28 -45.78 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.02 94.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.667 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.17 -41.78 93.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.401 HG23 HD12 ' C' ' 10' ' ' ILE . 96.6 mt -74.12 -43.55 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.059 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.4 OUTLIER -52.1 -37.06 52.87 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.513 -179.51 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.85 7.54 2.21 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.06 102.43 0.07 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' C' ' 15' ' ' THR . 1.0 OUTLIER -61.32 -34.8 75.84 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 120.866 0.365 . . . . 0.0 110.614 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 4.0 m -67.42 -21.93 65.55 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -44.17 93.75 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.7 ttp -63.25 -50.22 71.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.662 0.267 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.75 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.82 -47.72 83.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.43 -24.93 68.1 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -72.77 -58.2 3.52 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.89 -12.12 52.12 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.62 96.26 2.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.499 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.497 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.03 -54.43 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.379 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -66.18 -41.02 90.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.91 90.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.49 88.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.67 -44.12 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.31 -45.49 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.5 66.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.594 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 27.4 t80 -63.35 -40.59 97.69 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.95 -40.39 68.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.233 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.6 mp0 -81.41 -54.08 5.76 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -102.9 31.4 8.79 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 39.72 -146.61 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.3 t-105 -53.11 -52.21 59.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -50.53 -38.16 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.74 -36.24 86.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.6 ttp -57.39 -49.03 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.557 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.97 -48.34 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.503 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.76 -47.72 83.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.46 92.47 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -61.18 -49.09 78.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.532 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.34 -34.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -41.79 109.86 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.429 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.1 tp -67.3 -48.12 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 110.62 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.4 -42.61 96.31 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.62 -42.39 94.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.9 63.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.66 -43.1 98.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.947 0.403 . . . . 0.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.65 -40.11 96.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.482 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -75.06 -22.81 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.523 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.4 -43.62 98.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.298 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -87.08 -54.59 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' B' ' 13' ' ' GLY . 30.3 mp0 -79.87 -47.79 14.52 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.832 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -71.69 18.11 1.1 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 57.03 118.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.424 ' CE2' ' OG1' ' B' ' 15' ' ' THR . 56.7 p-90 -71.76 -33.04 68.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.876 0.369 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.424 ' OG1' ' CE2' ' B' ' 14' ' ' TRP . 4.4 m -78.02 -29.51 49.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -34.6 88.72 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 29.3 ttp -69.27 -37.3 77.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.594 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.8 -43.5 98.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.04 -45.72 93.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.994 0.426 . . . . 0.0 110.5 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.35 -37.29 87.09 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -65.82 -44.1 86.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.36 -15.75 62.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.94 106.11 3.11 Favored Glycine 0 N--CA 1.466 0.681 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.447 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 49.1 tp -57.86 -49.46 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.328 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -63.88 -40.83 97.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.69 96.43 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.14 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.567 0.222 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.402 HG21 HD12 ' C' ' 6' ' ' ILE . 97.0 mt -63.8 -42.97 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.923 0.392 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.19 99.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.63 71.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.11 -40.79 82.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.35 -44.95 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -70.6 2.58 3.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.01 2.56 84.13 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.07 129.08 0.6 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -71.31 -42.84 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.617 0.246 . . . . 0.0 110.617 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m -65.34 -18.46 65.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.838 0.351 . . . . 0.0 110.446 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.02 -24.37 76.04 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 64.1 ttp -74.54 -47.81 30.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.38 -42.69 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -57.89 -51.78 68.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -33.39 87.13 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -62.55 -54.48 39.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.983 0.42 . . . . 0.0 110.263 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . 0.457 ' C ' ' H ' ' C' ' 24' ' ' SER . 21.4 m-85 -73.83 -39.56 63.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.17 41.8 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.457 ' H ' ' C ' ' C' ' 22' ' ' TYR . 46.5 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.639 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.86 -53.88 51.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.312 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -66.77 -40.97 88.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.243 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -38.65 88.0 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.86 88.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.796 0.331 . . . . 0.0 110.603 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -45.14 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.67 88.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.582 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.4 71.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.41 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.478 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 50.4 t80 -60.63 -40.18 90.97 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.96 -38.08 63.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -54.5 4.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -104.2 30.79 9.52 Favored Glycine 0 N--CA 1.474 1.204 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.65 -146.56 0.54 Allowed Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -53.63 -53.3 53.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -50.85 -37.01 40.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.39 -34.91 89.28 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.8 ttp -59.9 -46.64 88.69 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 18' ' ' ILE . 77.7 mt -61.92 -50.18 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.544 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.49 -43.95 96.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.723 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.38 98.01 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -68.25 -41.51 81.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -70.57 -35.92 73.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.558 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.76 106.13 0.35 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.514 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 tp -50.92 -54.36 24.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.814 0.34 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -53.39 -49.16 67.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.05 99.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.97 9.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.62 -42.31 87.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.88 64.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.493 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.66 -26.26 68.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.2 -50.33 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.339 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 82.4 mt -81.04 -53.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' B' ' 13' ' ' GLY . 1.9 mp0 -77.41 -52.42 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.573 ' O ' ' O ' ' B' ' 13' ' ' GLY . . . -72.29 26.1 0.7 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.573 ' O ' ' O ' ' B' ' 12' ' ' GLY . . . 53.03 121.94 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -67.11 -38.44 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.824 0.345 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 16.4 m -70.14 -41.25 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.96 90.77 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.3 ttp -63.12 -51.05 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -53.61 -48.41 59.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.359 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.37 -43.64 79.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.443 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.98 -40.18 98.98 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.83 -42.24 93.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.48 -40.38 50.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.17 65.85 2.62 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.55 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.64 -54.18 49.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.743 0.306 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -58.99 -47.01 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.35 95.42 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.08 75.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.672 0.273 . . . . 0.0 110.814 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.45 -41.83 91.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.194 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.453 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.62 -47.48 78.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.61 -43.84 88.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.3 -46.18 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.529 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.5 OUTLIER -55.52 -16.42 3.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.754 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.25 13.49 1.99 Allowed Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 65.06 138.7 0.02 OUTLIER Glycine 0 N--CA 1.462 0.422 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -71.93 -41.96 67.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.3 m -66.77 -37.58 84.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.703 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -39.14 97.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 29.7 ttp -57.96 -53.29 59.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.63 -40.1 78.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.398 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.56 -50.45 71.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -26.97 69.86 Favored Glycine 0 CA--C 1.513 -0.079 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -65.38 -53.91 36.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.951 0.405 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' C' ' 24' ' ' SER . 16.7 m-85 -70.95 -37.13 72.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.76 37.0 0.6 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.519 ' H ' ' C ' ' C' ' 22' ' ' TYR . 38.5 t . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.72 -47.51 78.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.864 0.332 . . . . 0.0 110.593 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -64.82 -43.44 93.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -36.65 90.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.585 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.1 -45.61 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.38 86.09 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.58 63.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.455 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 32.8 t80 -66.97 -40.57 87.5 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.652 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.3 -19.66 13.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -96.46 -52.3 4.01 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.1 12.81 49.0 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 61.4 -145.98 48.46 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -55.37 -47.84 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.1 m -57.09 -40.29 76.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.743 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.7 91.79 Favored Glycine 0 C--N 1.309 -0.971 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.5 ttp -58.2 -46.85 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 18' ' ' ILE . 68.4 mt -61.56 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.557 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.0 -42.25 89.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.62 96.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -67.54 -38.29 83.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.891 0.377 . . . . 0.0 110.619 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.37 -20.94 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.2 127.39 35.15 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.009 -0.995 . . . . 0.0 110.497 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.425 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp -60.43 -45.51 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -56.08 -45.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.01 95.73 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.09 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.705 0.288 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.49 -47.95 84.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.88 0.371 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.432 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -61.42 -46.36 90.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.469 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.515 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -64.16 -32.21 73.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -55.67 -44.51 77.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.226 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.1 mt -87.32 -55.73 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 7' ' ' ALA . 30.7 mp0 -79.01 -46.72 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.965 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -69.07 -2.76 33.2 Favored Glycine 0 N--CA 1.461 0.345 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.56 117.24 0.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -67.57 -36.77 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -72.94 -32.13 65.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.12 -43.8 79.41 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.4 ttp -60.08 -41.49 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.421 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.416 HD12 HG23 ' B' ' 18' ' ' ILE . 93.7 mt -60.93 -44.63 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.403 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -61.65 -38.11 86.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.08 -42.59 76.31 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -60.26 -44.03 95.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.843 0.354 . . . . 0.0 110.306 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.49 -43.12 95.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.07 76.25 0.24 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.519 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.96 -45.32 90.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.7 0.286 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.11 93.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.93 80.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.09 -43.22 98.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.64 97.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.17 -24.52 54.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.11 -43.79 86.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 -40.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER -67.62 -6.24 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.87 -11.23 83.7 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.96 109.68 1.01 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -48.35 -51.33 26.82 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.782 0.325 . . . . 0.0 110.402 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.2 -24.04 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -44.38 45.99 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 61.6 ttp -54.26 -48.46 71.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 110.81 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.55 -48.02 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.12 -44.76 83.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.08 -33.61 84.02 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -56.74 -56.26 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.773 0.321 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . 0.437 ' C ' ' H ' ' C' ' 24' ' ' SER . 34.3 m-85 -59.44 -40.6 87.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.36 45.87 1.01 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.437 ' H ' ' C ' ' C' ' 22' ' ' TYR . 39.7 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.68 -57.74 9.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.43 -40.07 85.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.219 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.74 76.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.76 77.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.685 0.278 . . . . 0.0 110.629 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.01 -44.15 85.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.85 -45.23 78.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.92 71.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.88 -41.06 97.42 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 120.941 0.4 . . . . 0.0 110.619 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG23 HD11 ' A' ' 10' ' ' ILE . 96.7 mt -69.84 -39.74 78.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.4 mp0 -82.15 -51.02 8.39 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.51 35.42 4.98 Favored Glycine 0 N--CA 1.482 1.719 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.798 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.19 -144.76 0.19 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.504 ' HE1' HD11 ' A' ' 18' ' ' ILE . 52.9 t-105 -52.45 -52.76 52.45 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 m -49.24 -38.31 26.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.19 -36.68 93.15 Favored Glycine 0 C--N 1.312 -0.794 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 ttp -59.1 -47.44 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.743 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HE1' ' A' ' 14' ' ' TRP . 89.2 mt -62.42 -52.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.629 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.69 -41.78 91.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.794 0.33 . . . . 0.0 110.775 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.39 97.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -67.9 -37.42 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 24' ' ' SER . 11.6 m-85 -80.12 -37.33 33.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 84.83 0.01 OUTLIER Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.702 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.28 -41.54 97.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.772 0.32 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -57.11 -50.17 73.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -40.18 98.13 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.62 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.726 0.298 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.17 -43.02 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.2 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -64.89 -35.73 82.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.265 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.31 -40.54 71.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.8 mt -85.93 -58.47 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' B' ' 13' ' ' GLY . 27.1 mp0 -80.0 -46.91 15.79 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.219 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -75.95 11.83 10.35 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 81.78 150.16 7.81 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.516 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 41.6 p-90 -81.58 -38.5 26.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 110.605 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.516 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 11.2 m -84.25 -26.56 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.02 -43.93 93.06 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.97 -43.14 96.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 110.526 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.01 -44.07 99.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.344 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.71 -42.74 93.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.32 -39.05 96.66 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 -61.71 -42.81 99.45 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -73.81 -39.88 63.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.74 50.26 1.8 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.476 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' C' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 tp -47.07 -65.66 0.53 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.908 0.385 . . . . 0.0 110.475 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -62.26 -39.94 94.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 -34.41 89.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' C' ' 1' ' ' GLY . . . -63.86 -43.84 94.89 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.06 -46.45 88.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.206 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -65.59 -48.01 73.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -25.17 68.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.09 -39.72 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.08 -41.49 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.3 OUTLIER -48.8 -32.05 8.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.644 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.68 4.09 4.41 Favored Glycine 0 CA--C 1.517 0.168 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 81.69 110.99 0.38 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' C' ' 15' ' ' THR . 1.0 OUTLIER -65.93 -34.83 79.02 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 5.3 m -70.91 -41.37 71.33 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -40.95 26.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.3 ttp -67.21 -50.69 59.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.819 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.64 -42.26 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.23 -43.71 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 -34.66 90.49 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.39 -53.6 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.85 -41.07 78.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.39 86.12 0.07 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.65 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.996 0 N-CA-C 109.299 -1.52 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -67.31 -43.06 82.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.388 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.81 -41.03 92.37 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.86 -39.43 91.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.29 96.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 110.568 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.69 -44.89 89.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.95 -45.06 78.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -24.19 64.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 42.4 t80 -68.93 -40.25 79.13 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.72 -29.51 20.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -92.14 -56.23 3.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.629 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -101.37 28.76 14.52 Favored Glycine 0 N--CA 1.471 0.991 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 42.21 -146.97 0.62 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -54.33 -52.68 60.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.728 0.299 . . . . 0.0 111.015 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -51.51 -38.81 55.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.792 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.04 -38.57 92.68 Favored Glycine 0 C--N 1.313 -0.711 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.77 -47.62 76.72 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.427 HD12 HG21 ' A' ' 18' ' ' ILE . 96.6 mt -61.77 -46.27 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -62.81 -45.03 94.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -39.27 97.39 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -63.91 -44.41 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -83.35 -2.65 56.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.47 151.14 41.17 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.486 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.55 -46.9 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.725 0.298 . . . . 0.0 110.473 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -53.92 -44.81 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.77 -48.65 76.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.53 -51.86 57.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 110.634 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.07 -48.26 86.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.5 91.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.8 -35.55 80.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -54.15 -44.11 71.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.301 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 mt -89.39 -57.47 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' B' ' 13' ' ' GLY . 0.7 OUTLIER -73.61 -46.55 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.735 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -71.62 5.8 10.35 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 70.63 111.33 0.04 OUTLIER Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.495 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 29.2 p-90 -50.56 -45.72 57.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.807 0.337 . . . . 0.0 110.453 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.495 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 24.7 m -72.83 -25.38 61.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.49 92.06 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 18.8 ttp -70.56 -37.1 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.69 -46.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.306 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.58 -36.64 81.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.564 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.16 -36.73 90.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -69.06 -40.71 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 110.682 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.98 -42.73 80.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 78.09 0.7 Allowed Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.603 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -75.98 -44.24 40.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.831 0.348 . . . . 0.0 110.82 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -64.8 -37.01 86.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.556 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.5 -41.59 76.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.82 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.638 0.256 . . . . 0.0 110.804 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.51 -43.41 86.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 120.893 0.378 . . . . 0.0 110.007 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.89 -47.03 79.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.84 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . 0.528 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 41.3 t80 -69.75 -43.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.57 -42.34 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER -61.56 -18.5 59.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.606 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.01 -4.33 58.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.03 126.29 0.22 Allowed Glycine 0 N--CA 1.463 0.448 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -55.25 -52.25 64.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.351 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -26.8 68.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.44 79.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' MET . . . . . 0.528 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.7 ttp -58.6 -44.24 89.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.768 0.318 . . . . 0.0 110.784 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.93 -43.1 93.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.948 0.404 . . . . 0.0 110.739 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -58.46 -43.05 88.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -36.12 66.55 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.71 -56.83 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.134 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . 0.449 ' C ' ' H ' ' C' ' 24' ' ' SER . 44.3 m-85 -65.08 -41.79 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.7 45.48 0.86 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' SER . . . . . 0.449 ' H ' ' C ' ' C' ' 22' ' ' TYR . 34.7 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.43 -55.74 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.821 0.343 . . . . 0.0 110.192 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -65.88 -41.67 91.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.236 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.56 -38.21 86.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.55 -46.38 86.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.77 92.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.25 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.461 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 36.1 t80 -65.39 -41.24 93.89 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 120.885 0.374 . . . . 0.0 110.363 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.24 -29.89 22.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.58 -53.72 4.4 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.17 28.63 13.84 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 44.35 -146.25 1.65 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -54.42 -50.33 67.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.442 ' H ' ' HG1' ' A' ' 15' ' ' THR . 2.8 m -53.51 -39.62 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.586 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.87 -36.34 92.01 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.78 -47.26 83.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.466 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.4 mt -61.52 -48.82 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.25 -47.95 83.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.48 94.74 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -66.5 -40.2 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -89.18 -2.37 58.47 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.68 92.26 1.32 Allowed Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.03 -45.17 93.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.321 . . . . 0.0 110.425 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -66.41 -42.46 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -38.86 95.46 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.56 41.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -66.33 -36.14 76.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.31 -48.12 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.24 67.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.52 -46.67 46.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -83.61 -58.49 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.826 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 13' ' ' GLY . 8.8 mp0 -74.03 -45.32 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.5 15.49 2.07 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 52.14 100.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.454 ' CZ2' ' OG1' ' B' ' 15' ' ' THR . 37.0 p-90 -47.12 -44.6 21.63 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.793 0.33 . . . . 0.0 110.791 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.454 ' OG1' ' CZ2' ' B' ' 14' ' ' TRP . 24.9 m -66.35 -35.62 80.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.49 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.23 -37.79 95.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.3 ttp -63.77 -44.46 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.752 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.89 -45.17 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -56.89 -42.07 79.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -41.77 97.79 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -60.27 -40.17 89.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.29 -43.22 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.27 91.41 0.01 OUTLIER Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.41 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.24 -56.63 17.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -66.17 -48.73 69.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.64 -35.03 84.47 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.16 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.98 -44.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.02 77.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.417 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.759 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -66.1 -41.02 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.52 -41.9 49.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.725 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -63.69 -16.52 61.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.673 -179.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.68 8.03 8.11 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 70.96 104.07 0.05 OUTLIER Glycine 0 C--O 1.236 0.223 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -49.19 -41.32 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 15.4 m -62.07 -22.71 65.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.79 92.97 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.49 -50.67 73.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.604 0.24 . . . . 0.0 111.15 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.93 -42.38 94.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.228 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.28 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.04 66.8 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.62 -48.58 38.38 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.929 0.395 . . . . 0.0 110.265 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -74.92 -33.93 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.44 46.02 3.35 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.59 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.48 -49.35 77.92 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.625 0.25 . . . . 0.0 110.379 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -65.27 -39.53 92.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.051 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.52 91.18 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.62 95.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.67 -45.37 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.09 87.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -68.79 -28.07 66.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.82 -40.88 92.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.26 -27.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -54.7 3.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -103.97 30.88 9.39 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.83 -148.16 0.43 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -56.18 -38.97 71.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.682 0.277 . . . . 0.0 110.696 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 m -61.26 -36.22 79.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.62 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -70.54 -36.11 68.2 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -59.04 -45.8 89.85 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.17 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 18' ' ' ILE . 53.5 mt -62.92 -51.11 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.61 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.94 -22.32 65.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.89 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.49 -40.47 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -30.04 53.11 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.699 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -79.87 -39.16 31.16 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.437 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 120.69 9.4 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.499 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.29 -46.8 87.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.798 0.332 . . . . 0.0 110.453 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -57.06 -44.79 83.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.515 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.45 57.48 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -53.64 47.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.77 0.319 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 88.5 mt -66.58 -43.15 90.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.43 -45.5 92.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.97 65.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -59.38 -49.7 76.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mt -83.92 -57.07 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.546 ' C ' ' H ' ' B' ' 13' ' ' GLY . 26.8 mp0 -72.53 -54.97 7.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.24 24.0 0.73 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.22 137.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -80.01 -36.92 35.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.341 . . . . 0.0 110.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -71.62 -33.48 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -40.49 99.13 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 19.9 ttp -60.33 -46.01 91.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.69 -45.92 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.414 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -29.1 74.06 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -71.19 -45.53 63.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 110.56 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.09 -28.9 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.74 90.99 1.65 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.427 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.2 -55.62 30.95 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.524 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.95 -47.01 72.94 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -39.53 96.42 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.46 80.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 120.57 0.224 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.31 -41.49 78.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.954 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.256 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.43 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.528 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 26.8 t80 -67.93 -46.17 72.27 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.46 -46.74 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.462 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.9 OUTLIER -55.55 -19.66 10.7 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 9.55 5.44 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 62.6 138.64 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -65.49 -46.58 79.17 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.728 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -67.53 -37.49 82.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.594 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.96 -37.6 92.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.9 ttp -60.07 -52.28 66.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.604 0.24 . . . . 0.0 111.105 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -61.98 -43.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 0.0 110.437 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.96 -47.04 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.797 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.61 -24.81 71.3 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.28 -57.12 9.24 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.04 0.448 . . . . 0.0 110.484 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -65.56 -32.91 74.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 92.68 0.11 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.591 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.959 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.48 -48.75 79.7 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.203 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -65.37 -45.43 84.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -36.85 76.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.27 79.16 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.48 -43.84 90.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -67.33 -45.03 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.08 64.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.0 -41.37 74.44 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -73.19 -28.77 26.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 0.6 OUTLIER -92.42 -52.9 4.44 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -106.79 32.76 6.96 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.69 -146.13 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -54.41 -53.06 59.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -50.83 -39.01 52.26 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.89 -37.86 93.7 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 ttp -58.5 -45.77 88.05 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.02 -47.33 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 110.599 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -63.97 -39.84 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.12 -40.35 96.85 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -68.02 -36.85 80.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.475 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -80.32 -16.46 54.55 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.296 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.07 95.53 0.35 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.572 179.891 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.78 -41.88 97.88 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.338 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -60.55 -45.45 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.66 -44.14 97.14 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -55.81 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.62 -41.18 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.222 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.463 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -64.87 -47.06 79.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.496 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -63.79 -24.11 67.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -69.56 -41.27 76.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.174 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -87.2 -40.55 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' B' ' 7' ' ' ALA . 52.9 mp0 -96.75 -45.73 6.55 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.84 10.77 6.71 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 68.82 131.44 0.05 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -75.36 -32.76 60.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.964 0.411 . . . . 0.0 110.131 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 10.7 m -73.28 -38.85 65.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.778 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.81 90.24 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.93 -41.73 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.837 0.351 . . . . 0.0 110.498 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.73 -43.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.72 -39.73 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.57 -42.01 99.68 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.63 -44.8 92.84 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.369 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -68.89 -36.99 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.2 89.84 0.04 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.067 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.4 tp -57.26 -50.54 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.7 0.286 . . . . 0.0 110.534 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -62.13 -43.0 99.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.908 0.385 . . . . 0.0 110.659 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -37.02 89.17 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.73 91.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.609 0.242 . . . . 0.0 110.907 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -42.55 96.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 0.0 110.019 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -63.08 -46.16 88.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.33 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -69.78 -42.19 74.13 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -77.76 -32.94 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER -66.13 -26.21 67.34 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.219 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.26 -1.19 12.85 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 76.73 116.72 0.15 Allowed Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.496 -0.641 . . . . 0.0 111.496 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -59.71 -23.81 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.063 -0.569 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -82.4 -31.47 29.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.3 96.83 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.0 ttp -58.37 -44.44 88.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.289 . . . . 0.0 111.084 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.47 -45.1 98.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.73 -45.81 77.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.08 95.68 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -52.11 -53.03 47.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.986 0.422 . . . . 0.0 110.272 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.85 -35.29 76.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.73 84.09 1.49 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.218 -0.558 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.522 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.78 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.29 -47.07 85.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -65.52 -40.77 93.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.253 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 -39.03 91.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.07 96.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.52 -47.39 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.03 92.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -30.07 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.37 -39.8 88.53 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.919 0.39 . . . . 0.0 110.491 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -38.46 50.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.372 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -79.91 -54.64 5.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.26 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 34.06 5.93 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.18 -144.94 0.59 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -56.66 -34.97 67.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -41.45 97.74 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.45 86.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttp -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.523 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.58 -50.24 81.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.78 -44.77 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.47 -38.66 96.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -68.12 -41.12 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.741 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -73.34 -39.37 65.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.54 118.02 3.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.458 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.27 -45.93 89.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.271 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -51.92 -41.67 62.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.38 -50.79 61.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.21 66.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.326 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.05 -42.87 89.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -68.34 -28.63 67.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.449 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 57.1 mt -88.0 -48.84 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.87 -44.07 15.84 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.226 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -80.75 12.29 36.01 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.88 145.99 0.95 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' TRP . . . . . 0.502 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 56.1 p-90 -81.05 -34.01 33.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.008 0.432 . . . . 0.0 110.432 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.502 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 50.4 m -83.4 -16.69 44.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 -34.94 62.02 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttp -74.44 -40.53 61.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.62 -44.67 82.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.544 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.34 -38.16 85.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.31 38.94 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -55.64 -44.8 77.5 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 0.0 110.325 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' B' ' 24' ' ' SER . 6.7 m-85 -68.57 -43.32 76.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.48 88.76 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 22' ' ' TYR . 13.8 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 32.8 tp -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.622 0.249 . . . . 0.0 111.1 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -60.72 -46.36 90.7 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.718 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.76 92.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.7 87.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.615 0.245 . . . . 0.0 110.925 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.16 -47.61 91.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.952 0.406 . . . . 0.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.37 -44.13 92.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.33 -27.24 64.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.34 -39.66 92.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 68.5 mt -79.66 -40.61 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.179 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -58.47 -33.72 70.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.359 . . . . 0.0 110.42 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.28 6.82 2.11 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 76.24 98.19 0.15 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.1 OUTLIER -53.71 -26.16 21.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 179.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' THR . . . . . 0.569 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 4.1 m -82.26 -13.3 57.25 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.496 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.46 75.54 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 63.8 ttp -61.6 -42.5 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.67 0.271 . . . . 0.0 110.728 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . 0.423 HG23 HD13 ' C' ' 18' ' ' ILE . 61.9 mt -63.66 -49.09 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.623 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.61 -44.25 80.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.545 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.42 82.87 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.3 -54.4 47.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.832 0.349 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.4 -35.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.436 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.21 78.15 1.96 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.497 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -66.46 -38.46 87.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.03 -38.17 88.3 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.19 93.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.714 0.292 . . . . 0.0 110.694 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.47 -45.03 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.06 -45.03 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.612 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.04 -27.67 66.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.85 -42.14 90.81 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.88 0.371 . . . . 0.0 110.547 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.09 -29.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -90.66 -51.28 5.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 32.04 7.41 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 42.16 -145.27 0.83 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -55.22 -50.45 69.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.668 0.27 . . . . 0.0 111.023 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -53.13 -39.52 63.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.564 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.07 -35.05 91.35 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.7 ttp -60.7 -45.71 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.677 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.1 -49.4 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -61.67 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.27 97.8 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -179.721 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 120.793 0.33 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -44.24 97.63 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -54.19 33.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.43 -42.92 96.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.554 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.77 96.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.522 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -29.14 68.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.475 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.61 -46.66 84.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.468 0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.741 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.745 0.307 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.36 95.6 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.36 88.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.74 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.45 -43.77 97.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -64.08 -45.28 89.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.85 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.54 -42.14 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.475 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.748 0.309 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -44.92 94.84 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.1 ttp -58.97 -47.17 86.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.639 0.257 . . . . 0.0 110.697 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -44.09 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.27 77.26 Favored Glycine 0 CA--C 1.519 0.282 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -59.34 -50.61 73.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.915 0.388 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 CA--C 1.53 0.195 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.527 179.599 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.8 tp . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -65.88 -43.54 88.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.327 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.65 82.79 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.96 -44.85 83.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.726 0.298 . . . . 0.0 110.67 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.45 -45.2 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.09 -45.34 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.85 69.9 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.18 -40.7 96.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.85 0.357 . . . . 0.0 110.281 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.14 -30.05 34.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.302 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 3.1 mp0 -92.06 -52.24 4.8 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -107.06 34.77 5.47 Favored Glycine 0 N--CA 1.482 1.704 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 39.46 -145.79 0.25 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.419 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.1 t-105 -53.84 -51.33 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.792 0.33 . . . . 0.0 111.041 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m -50.6 -37.21 38.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.51 -35.84 90.6 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -60.41 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.616 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 14' ' ' TRP . 83.0 mt -62.84 -51.71 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.747 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -61.3 -43.15 99.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.784 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.84 -39.17 97.14 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.554 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.724 0.297 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.69 -43.44 99.25 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.69 72.23 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.94 -43.27 97.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.04 92.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.22 -29.62 70.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.84 -45.94 90.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.08 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.76 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.957 0.408 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.69 -39.2 94.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.68 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.13 -44.54 98.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.433 . . . . 0.0 110.069 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -62.86 -41.41 99.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -26.27 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -68.9 -42.67 76.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.36 -40.62 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.956 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -42.1 77.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.54 -42.95 97.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 110.663 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.56 -47.82 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.872 0.367 . . . . 0.0 110.376 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.72 -47.94 78.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.37 -17.99 71.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -73.67 -43.31 59.74 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.725 0.297 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.03 -41.49 90.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.178 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -38.55 89.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.93 93.86 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.68 -45.77 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.99 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.495 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.43 67.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.73 -42.86 85.62 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.097 0.475 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.2 mt -75.46 -22.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -51.21 5.08 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.84 -2.58 34.43 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.021 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 -147.51 27.45 Favored Glycine 0 C--N 1.307 -1.062 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -52.58 -51.0 61.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.353 . . . . 0.0 110.928 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 m -54.56 -39.68 67.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.89 93.16 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.8 ttp -56.72 -48.35 77.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.16 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.91 -46.79 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -39.08 97.34 Favored Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -179.703 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 -43.44 98.04 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.2 74.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.818 0.342 . . . . 0.0 110.653 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.99 -43.15 97.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.82 77.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.37 -44.86 92.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.025 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.472 0.642 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.001 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.53 -37.71 89.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.11 84.77 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.701 0.286 . . . . 0.0 110.758 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.68 -42.66 95.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.949 0.405 . . . . 0.0 110.094 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -62.2 -45.54 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.87 -29.13 67.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.938 0.399 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.11 -42.51 89.1 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.5 mt -82.69 -37.76 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.768 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -43.56 87.49 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 62.5 ttp -56.74 -46.25 81.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.619 0.247 . . . . 0.0 110.775 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.8 -43.8 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.55 -49.46 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.12 84.78 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -52.56 -52.05 56.82 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.479 179.656 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -66.49 -48.55 69.48 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.16 -35.84 79.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.15 80.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.25 -44.24 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.434 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.58 -45.86 77.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.487 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -26.42 66.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -65.77 -41.13 92.43 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.972 0.415 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.91 -34.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.305 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 6.0 mp0 -88.36 -50.74 6.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.14 31.84 7.56 Favored Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.769 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.57 -144.2 0.54 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.461 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.4 t-105 -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -57.44 -40.78 79.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.817 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.97 -36.29 90.76 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.5 ttp -58.64 -46.94 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.47 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.461 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.8 mt -61.83 -49.59 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.0 -41.15 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.961 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.82 -40.92 99.84 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.153 0.501 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' B' ' 8' ' ' ALA . . . -65.24 -36.81 93.27 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.81 64.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.99 -45.05 80.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.34 63.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' B' ' 4' ' ' GLY . . . -57.2 -32.29 66.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.516 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.26 -51.15 65.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.414 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mt . . . . . 0 N--CA 1.475 0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.582 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.42 83.46 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.46 77.79 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.517 0.199 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.71 -41.0 88.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.3 62.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.25 77.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.774 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.77 -46.69 77.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.19 -44.45 80.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -41.51 90.11 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 42.9 ttp -61.24 -46.72 89.23 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.18 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.32 -45.11 84.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.45 -37.12 93.43 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -57.61 -52.49 65.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.89 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.474 179.402 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.2 tp . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -64.66 -42.53 95.33 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.547 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.54 -35.64 86.34 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.11 91.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.77 -47.31 86.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.404 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -65.09 -44.16 89.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.41 72.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -64.47 -41.41 96.52 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 120.92 0.391 . . . . 0.0 110.664 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -73.27 -26.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.211 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 3.3 mp0 -94.13 -52.18 4.5 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.07 27.85 15.89 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.0 -145.86 2.12 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 18' ' ' ILE . 24.8 t-105 -55.82 -41.89 74.91 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -59.72 -39.67 85.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.89 89.1 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.21 -49.57 71.61 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.626 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 14' ' ' TRP . 72.8 mt -62.13 -51.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.478 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -57.19 -46.01 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.77 -39.52 97.53 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 110.46 -179.717 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.93 88.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.754 0.311 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.83 -45.37 97.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.45 80.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.59 81.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.94 -43.56 81.63 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.173 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.465 0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.49 -36.33 91.33 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.05 72.07 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.934 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.67 -43.13 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.938 0.399 . . . . 0.0 110.213 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.428 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -63.45 -43.51 97.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.561 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.33 -23.46 54.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -69.12 -44.35 72.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.96 -46.87 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.656 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.25 -42.95 90.21 Favored Glycine 0 C--N 1.334 0.419 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.8 ttp -58.57 -43.7 89.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.668 0.271 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.49 -42.7 87.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.51 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -57.48 -45.99 84.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.38 86.96 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -52.86 63.44 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.263 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.442 179.645 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 tp . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -63.21 -45.0 93.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.57 -32.18 83.3 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.57 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.39 -47.33 78.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.87 88.79 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.84 75.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 34.7 t80 -59.82 -38.95 83.43 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.41 -37.64 51.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.63 -49.91 9.32 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -110.56 32.25 6.75 Favored Glycine 0 N--CA 1.479 1.524 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.71 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.32 -144.65 0.67 Allowed Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -55.01 -40.78 70.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.362 . . . . 0.0 110.752 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -59.41 -40.2 85.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.642 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -36.85 89.51 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 ttp -54.68 -50.1 69.05 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.673 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.74 -50.17 81.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -45.67 85.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.772 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.58 99.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.751 0.31 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -42.1 99.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.83 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.2 -43.39 95.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.08 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.481 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.4 77.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.482 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.09 -49.28 66.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.133 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 CA--C 1.535 0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.805 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.85 -36.39 92.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.9 76.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.94 -39.45 85.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.48 97.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.88 78.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.83 -43.82 95.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.03 -42.3 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.658 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.792 0.329 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.5 76.06 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 40.1 ttp -57.85 -47.53 82.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.704 0.288 . . . . 0.0 111.078 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -45.74 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.764 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -52.87 -44.51 66.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -40.9 87.17 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -48.15 -58.77 4.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.122 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.659 0.266 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.32 -39.71 94.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.93 91.81 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.53 83.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.33 -44.46 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -64.52 -43.23 94.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.542 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.79 59.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 37.8 t80 -68.29 -41.11 81.45 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -79.01 -31.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.6 mp0 -81.94 -52.09 7.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.71 -11.43 30.66 Favored Glycine 0 N--CA 1.477 1.428 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 86.36 -147.04 21.27 Favored Glycine 0 N--CA 1.468 0.797 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.412 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -56.91 -40.05 75.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.769 0.319 . . . . 0.0 110.745 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.0 m -65.52 -42.67 91.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.5 -34.46 89.23 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.3 ttp -59.69 -45.91 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.95 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.797 0.332 . . . . 0.0 110.572 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -61.17 -36.72 80.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.682 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.19 -41.44 92.1 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 120.781 0.324 . . . . 0.0 110.684 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.22 -41.49 59.59 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.06 50.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.765 0.316 . . . . 0.0 110.945 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.19 -45.22 99.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.79 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.37 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -63.58 -51.85 63.55 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.056 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.91 0.386 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -35.04 91.48 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.29 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.703 0.287 . . . . 0.0 110.738 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.67 -44.11 98.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.921 0.391 . . . . 0.0 110.01 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.89 98.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.29 73.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.564 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.46 -44.59 82.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 53.0 mt -70.24 -45.25 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.466 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.791 0.329 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.37 89.3 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 28.9 ttp -59.19 -48.88 79.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.68 0.276 . . . . 0.0 110.945 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.03 -48.02 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.869 0.366 . . . . 0.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.54 -48.86 76.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.59 81.28 Favored Glycine 0 C--O 1.23 -0.119 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -59.75 -51.21 70.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.981 0.42 . . . . 0.0 110.106 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.497 179.577 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.798 0.333 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.54 -40.28 89.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.214 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.31 -38.13 84.88 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.82 92.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.34 -45.04 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.77 86.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 16' ' ' GLY . . . -69.1 -26.71 65.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.524 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -66.1 -41.15 91.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 120.968 0.413 . . . . 0.0 110.414 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.0 mt -74.12 -26.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.228 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.45 -53.99 3.7 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.18 27.92 15.52 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.46 -145.37 2.73 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.647 ' HE1' HD11 ' A' ' 18' ' ' ILE . 56.6 t-105 -53.28 -52.07 60.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -52.44 -41.54 63.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . -63.94 -38.73 96.49 Favored Glycine 0 C--N 1.314 -0.693 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.2 ttp -57.84 -46.48 84.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.616 0.246 . . . . 0.0 110.635 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 ' HE1' ' A' ' 14' ' ' TRP . 60.6 mt -60.75 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -60.24 -42.68 95.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.83 98.05 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.625 -179.759 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.792 0.329 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.93 98.37 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.401 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.58 -44.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.76 96.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.47 65.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -67.08 -39.17 86.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.537 0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.648 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -35.17 91.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.64 95.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.735 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.36 -44.08 97.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.916 0.388 . . . . 0.0 110.158 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.75 83.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -28.56 65.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -66.39 -39.9 89.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.997 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.11 -41.81 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 120.943 0.402 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.26 -52.57 48.6 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.31 . . . . 0.0 110.726 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.77 -45.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.273 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -55.66 -47.85 76.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.458 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.2 -36.68 93.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -58.46 -54.9 41.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.927 0.394 . . . . 0.0 110.072 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 179.7 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -65.58 -44.7 85.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.414 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.01 69.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.68 83.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.1 -45.97 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.04 80.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.515 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 43.5 t80 -62.22 -40.32 95.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.38 -36.72 55.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -83.71 -53.36 5.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.585 0.231 . . . . 0.0 111.482 -178.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -105.33 34.84 5.48 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 37.56 -145.13 0.13 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.471 ' HE1' HD11 ' A' ' 18' ' ' ILE . 29.6 t-105 -54.02 -50.75 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -49.89 -37.9 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.753 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -37.59 90.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttp -54.11 -50.96 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HE1' ' A' ' 14' ' ' TRP . 81.8 mt -62.46 -53.38 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.3 -46.66 79.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.718 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.84 96.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.358 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.02 -46.71 92.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.57 67.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.714 0.292 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -41.76 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.13 89.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.493 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.05 81.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.33 -43.14 83.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.453 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.867 0.365 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -38.21 94.5 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.54 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -61.43 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.91 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.14 -41.26 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.97 -43.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.515 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.902 0.382 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.63 -41.73 64.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 54.2 ttp -59.28 -45.39 91.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.757 0.313 . . . . 0.0 110.549 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.71 -46.52 88.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.23 84.94 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.47 -54.29 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.875 0.369 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 120.745 0.307 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.476 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.67 -35.74 87.15 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.49 86.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.652 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.72 -45.49 87.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.26 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.69 67.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -66.15 -41.92 89.73 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.953 0.406 . . . . 0.0 110.669 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.08 -28.98 31.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -92.83 -52.39 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.51 29.82 10.42 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.65 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.82 -143.96 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.802 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -54.82 -52.44 62.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.724 0.297 . . . . 0.0 110.925 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 m -50.86 -38.42 49.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.695 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.66 85.79 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.4 ttp -55.96 -49.66 72.94 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' HE1' ' A' ' 14' ' ' TRP . 65.9 mt -62.49 -51.69 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.671 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -56.67 -45.62 81.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -38.49 96.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 -179.878 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.15 -40.56 93.86 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.09 97.16 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.638 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.72 -42.53 95.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.21 -48.48 75.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.49 78.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -51.1 -50.78 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mt . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.0 0.428 . . . . 0.0 110.96 -179.548 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.688 0.28 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -39.61 98.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.99 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.689 0.28 . . . . 0.0 110.741 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.64 -42.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.945 0.402 . . . . 0.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.31 87.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.77 57.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.58 -45.3 94.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.69 -52.61 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.678 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.901 0.382 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.99 96.35 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.9 ttp -59.53 -47.56 85.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.75 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.459 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.11 -45.84 89.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.26 -40.19 91.39 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -55.85 -53.75 52.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 N--CA 1.461 0.123 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -65.93 -44.3 85.52 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.55 -37.29 88.4 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.74 96.67 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 99.4 mt -67.45 -44.55 86.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.5 -44.74 81.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.486 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.87 68.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -63.33 -40.94 98.7 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.042 0.449 . . . . 0.0 110.55 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.84 -38.44 65.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.7 mp0 -83.09 -51.56 7.41 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.75 5.96 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.749 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.33 -145.6 0.38 Allowed Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.52 ' HE1' HD11 ' A' ' 18' ' ' ILE . 59.5 t-105 -53.04 -51.22 62.46 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.734 0.302 . . . . 0.0 110.992 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -50.57 -40.17 51.53 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.54 93.7 Favored Glycine 0 C--N 1.312 -0.762 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -57.79 -46.44 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.52 HD11 ' HE1' ' A' ' 14' ' ' TRP . 56.2 mt -61.51 -49.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.59 -42.98 97.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -39.67 98.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.957 0.408 . . . . 0.0 110.382 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.29 -43.54 99.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.04 71.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.862 0.363 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.64 -43.01 87.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.13 95.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.577 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.04 68.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.464 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.36 -46.6 85.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.826 179.527 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.24 -34.76 90.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.1 91.54 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.67 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.21 -43.89 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.02 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -67.28 -45.78 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.02 94.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.667 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.17 -41.78 93.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.12 -43.55 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.274 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.513 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.987 0.422 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -44.17 93.75 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.7 ttp -63.25 -50.22 71.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.662 0.267 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.75 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.82 -47.72 83.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.43 -24.93 68.1 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -72.77 -58.2 3.52 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 CA--C 1.529 0.163 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.423 179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 120.826 0.346 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -66.18 -41.02 90.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.91 90.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.49 88.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.67 -44.12 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.31 -45.49 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.5 66.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.594 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 27.4 t80 -63.35 -40.59 97.69 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.95 -40.39 68.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.233 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.6 mp0 -81.41 -54.08 5.76 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -102.9 31.4 8.79 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 39.72 -146.61 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -53.11 -52.21 59.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -50.53 -38.16 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.74 -36.24 86.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.6 ttp -57.39 -49.03 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.557 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.428 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.9 mt -61.97 -48.34 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.503 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.76 -47.72 83.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.46 92.47 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.532 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.62 -42.39 94.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.9 63.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.66 -43.1 98.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.947 0.403 . . . . 0.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.11 96.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.06 -22.81 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.523 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.4 -43.62 98.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.298 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.467 0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.643 0.258 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.69 96.43 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.14 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.567 0.222 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.8 -42.97 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.923 0.392 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.19 99.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.63 71.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.11 -40.79 82.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.35 -44.95 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.333 -0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.685 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.02 -24.37 76.04 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 64.1 ttp -74.54 -47.81 30.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.38 -42.69 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -57.89 -51.78 68.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -33.39 87.13 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -62.55 -54.48 39.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.983 0.42 . . . . 0.0 110.263 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 CA--C 1.531 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.694 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.679 0.276 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -66.77 -40.97 88.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.243 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -38.65 88.0 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.86 88.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.796 0.331 . . . . 0.0 110.603 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -45.14 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.67 88.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.582 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.4 71.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.41 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.467 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 50.4 t80 -60.63 -40.18 90.97 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.96 -38.08 63.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -54.5 4.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -104.2 30.79 9.52 Favored Glycine 0 N--CA 1.474 1.204 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.65 -146.56 0.54 Allowed Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.498 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.5 t-105 -53.63 -53.3 53.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -50.85 -37.01 40.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.39 -34.91 89.28 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.8 ttp -59.9 -46.64 88.69 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' HE1' ' A' ' 14' ' ' TRP . 77.7 mt -61.92 -50.18 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.544 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.49 -43.95 96.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.723 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.38 98.01 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 -179.787 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.878 0.371 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.05 99.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.97 9.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.62 -42.31 87.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.88 64.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.26 68.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.2 -50.33 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.339 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 120.783 0.325 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.35 95.42 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.08 75.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.672 0.273 . . . . 0.0 110.814 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.45 -41.83 91.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.194 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.453 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.62 -47.48 78.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.61 -43.84 88.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.3 -46.18 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -39.14 97.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 29.7 ttp -57.96 -53.29 59.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.63 -40.1 78.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.398 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.56 -50.45 71.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -26.97 69.86 Favored Glycine 0 CA--C 1.513 -0.079 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -65.38 -53.91 36.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.951 0.405 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 179.634 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -64.82 -43.44 93.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -36.65 90.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.585 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.1 -45.61 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.38 86.09 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.58 63.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.444 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 32.8 t80 -66.97 -40.57 87.5 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.652 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.3 -19.66 13.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -96.46 -52.3 4.01 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.1 12.81 49.0 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 61.4 -145.98 48.46 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -55.37 -47.84 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.1 m -57.09 -40.29 76.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.743 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.7 91.79 Favored Glycine 0 C--N 1.309 -0.971 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.5 ttp -58.2 -46.85 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.56 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.0 -42.25 89.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.62 96.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.891 0.377 . . . . 0.0 110.619 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.978 0.418 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.01 95.73 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.09 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.705 0.288 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.49 -47.95 84.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.88 0.371 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.36 90.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.469 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.21 73.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -55.67 -44.51 77.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.226 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.466 0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.11 93.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.93 80.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.09 -43.22 98.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.64 97.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.17 -24.52 54.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.11 -43.79 86.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 -40.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -44.38 45.99 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 61.6 ttp -54.26 -48.46 71.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 110.81 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.55 -48.02 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.12 -44.76 83.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.08 -33.61 84.02 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -56.74 -56.26 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.773 0.321 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.276 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.43 -40.07 85.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.219 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.74 76.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.76 77.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.685 0.278 . . . . 0.0 110.629 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.01 -44.15 85.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.85 -45.23 78.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.92 71.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.88 -41.06 97.42 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 120.941 0.4 . . . . 0.0 110.619 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.84 -39.74 78.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.4 mp0 -82.15 -51.02 8.39 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.51 35.42 4.98 Favored Glycine 0 N--CA 1.482 1.719 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.798 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.19 -144.76 0.19 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' HE1' HD11 ' A' ' 18' ' ' ILE . 52.9 t-105 -52.45 -52.76 52.45 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 m -49.24 -38.31 26.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.19 -36.68 93.15 Favored Glycine 0 C--N 1.312 -0.794 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 ttp -59.1 -47.44 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.743 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 14' ' ' TRP . 89.2 mt -62.42 -52.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.629 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.69 -41.78 91.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.794 0.33 . . . . 0.0 110.775 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.39 97.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.658 0.266 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -40.18 98.13 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.62 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.726 0.298 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.17 -43.02 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.2 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.73 82.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.265 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.31 -40.54 71.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.784 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 -34.41 89.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.84 94.89 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 110.769 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.06 -46.45 88.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.206 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -65.59 -48.01 73.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -25.17 68.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.09 -39.72 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.08 -41.49 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.644 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.906 0.384 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -40.95 26.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.3 ttp -67.21 -50.69 59.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.819 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.64 -42.26 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.23 -43.71 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 -34.66 90.49 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.39 -53.6 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 179.654 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp . . . . . 0 C--O 1.239 0.504 0 CA-C-O 120.791 0.329 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.81 -41.03 92.37 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.86 -39.43 91.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.29 96.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 110.568 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.69 -44.89 89.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.95 -45.06 78.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -24.19 64.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.452 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 42.4 t80 -68.93 -40.25 79.13 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.72 -29.51 20.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -92.14 -56.23 3.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.629 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.37 28.76 14.52 Favored Glycine 0 N--CA 1.471 0.991 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 42.21 -146.97 0.62 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.4 t-105 -54.33 -52.68 60.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.728 0.299 . . . . 0.0 111.015 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -51.51 -38.81 55.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.792 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.04 -38.57 92.68 Favored Glycine 0 C--N 1.313 -0.711 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.77 -47.62 76.72 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.447 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.6 mt -61.77 -46.27 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -62.81 -45.03 94.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -39.27 97.39 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 -179.705 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.935 0.397 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.77 -48.65 76.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.53 -51.86 57.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 110.634 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.07 -48.26 86.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.5 91.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.55 80.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -54.15 -44.11 71.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.301 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.639 0.257 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.5 -41.59 76.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.82 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.638 0.256 . . . . 0.0 110.804 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.51 -43.41 86.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 120.893 0.378 . . . . 0.0 110.007 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.89 -47.03 79.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.84 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' PHE . . . . . 0.528 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 41.3 t80 -69.75 -43.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.57 -42.34 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.606 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.85 0.357 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.44 79.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' MET . . . . . 0.528 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.7 ttp -58.6 -44.24 89.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.768 0.318 . . . . 0.0 110.784 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.93 -43.1 93.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.948 0.404 . . . . 0.0 110.739 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -58.46 -43.05 88.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -36.12 66.55 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.71 -56.83 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.134 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.702 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 CA--C 1.53 0.173 0 CA-C-O 120.821 0.343 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -65.88 -41.67 91.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.236 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.56 -38.21 86.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.55 -46.38 86.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.77 92.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.25 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.446 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 36.1 t80 -65.39 -41.24 93.89 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 120.885 0.374 . . . . 0.0 110.363 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.24 -29.89 22.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.58 -53.72 4.4 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.71 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.17 28.63 13.84 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 44.35 -146.25 1.65 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.513 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.0 t-105 -54.42 -50.33 67.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -53.51 -39.62 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.87 -36.34 92.01 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.78 -47.26 83.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.466 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 14' ' ' TRP . 66.4 mt -61.52 -48.82 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.25 -47.95 83.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.48 94.74 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -38.86 95.46 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.56 41.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -66.33 -36.14 76.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.31 -48.12 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.24 67.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.52 -46.67 46.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 N--CA 1.467 0.39 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.826 -179.88 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.64 -35.03 84.47 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.16 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.98 -44.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.02 77.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.417 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.759 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -66.1 -41.02 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.52 -41.9 49.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.725 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.673 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.79 92.97 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.49 -50.67 73.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.604 0.24 . . . . 0.0 111.15 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.93 -42.38 94.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.228 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.28 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.04 66.8 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.62 -48.58 38.38 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.929 0.395 . . . . 0.0 110.265 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 tp . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.625 0.25 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -65.27 -39.53 92.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.051 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.52 91.18 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.62 95.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.67 -45.37 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.09 87.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -68.79 -28.07 66.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.82 -40.88 92.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.26 -27.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -54.7 3.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -103.97 30.88 9.39 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.83 -148.16 0.43 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.525 ' HE1' HD11 ' A' ' 18' ' ' ILE . 21.5 t-105 -56.18 -38.97 71.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.682 0.277 . . . . 0.0 110.696 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 m -61.26 -36.22 79.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.62 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -70.54 -36.11 68.2 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -59.04 -45.8 89.85 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.17 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.525 HD11 ' HE1' ' A' ' 14' ' ' TRP . 53.5 mt -62.92 -51.11 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.61 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.94 -22.32 65.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.89 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.49 -40.47 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.699 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.45 57.48 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -53.64 47.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.77 0.319 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 88.5 mt -66.58 -43.15 90.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -45.5 92.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.97 65.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -59.38 -49.7 76.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.691 0.281 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -39.53 96.42 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.46 80.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 120.57 0.224 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.31 -41.49 78.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.954 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.256 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.43 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.528 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 26.8 t80 -67.93 -46.17 72.27 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.46 -46.74 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.824 0.345 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.96 -37.6 92.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.9 ttp -60.07 -52.28 66.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.604 0.24 . . . . 0.0 111.105 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -61.98 -43.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 0.0 110.437 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.96 -47.04 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.797 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.61 -24.81 71.3 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.28 -57.12 9.24 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.04 0.448 . . . . 0.0 110.484 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.884 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -65.37 -45.43 84.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -36.85 76.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.27 79.16 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.48 -43.84 90.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -67.33 -45.03 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.08 64.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.0 -41.37 74.44 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -73.19 -28.77 26.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 0.6 OUTLIER -92.42 -52.9 4.44 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -106.79 32.76 6.96 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.69 -146.13 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -54.41 -53.06 59.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -50.83 -39.01 52.26 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.89 -37.86 93.7 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 ttp -58.5 -45.77 88.05 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.02 -47.33 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 110.599 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -63.97 -39.84 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.12 -40.35 96.85 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.475 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.66 -44.14 97.14 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -55.81 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.62 -41.18 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.222 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.06 79.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -24.11 67.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -69.56 -41.27 76.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.174 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -37.02 89.17 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.73 91.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.609 0.242 . . . . 0.0 110.907 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -42.55 96.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 0.0 110.019 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -63.08 -46.16 88.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.33 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -69.78 -42.19 74.13 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -77.76 -32.94 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.466 0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 120.767 0.317 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.3 96.83 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.0 ttp -58.37 -44.44 88.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.289 . . . . 0.0 111.084 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.47 -45.1 98.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.73 -45.81 77.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.08 95.68 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -52.11 -53.03 47.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.986 0.422 . . . . 0.0 110.272 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.463 0.205 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.604 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -65.52 -40.77 93.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.253 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 -39.03 91.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.07 96.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.52 -47.39 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.03 92.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -30.07 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.37 -39.8 88.53 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.919 0.39 . . . . 0.0 110.491 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -38.46 50.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.372 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -79.91 -54.64 5.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.26 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 34.06 5.93 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.18 -144.94 0.59 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -56.66 -34.97 67.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -41.45 97.74 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.45 86.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttp -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.523 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.58 -50.24 81.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.78 -44.77 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.47 -38.66 96.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.741 -179.622 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.855 0.36 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.38 -50.79 61.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.21 66.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.326 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.05 -42.87 89.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -28.63 67.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.853 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.76 92.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.7 87.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.615 0.245 . . . . 0.0 110.925 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.16 -47.61 91.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.952 0.406 . . . . 0.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.37 -44.13 92.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.33 -27.24 64.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.34 -39.66 92.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 68.5 mt -79.66 -40.61 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.179 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.359 . . . . 0.0 110.42 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.46 75.54 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 63.8 ttp -61.6 -42.5 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.67 0.271 . . . . 0.0 110.728 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.66 -49.09 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.61 -44.25 80.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.545 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.42 82.87 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.3 -54.4 47.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.832 0.349 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.436 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.95 -58.4 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.474 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -66.46 -38.46 87.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.03 -38.17 88.3 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.19 93.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.714 0.292 . . . . 0.0 110.694 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.47 -45.03 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.06 -45.03 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.612 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.04 -27.67 66.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.85 -42.14 90.81 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.88 0.371 . . . . 0.0 110.547 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.09 -29.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -90.66 -51.28 5.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 32.04 7.41 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 42.16 -145.27 0.83 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -55.22 -50.45 69.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.668 0.27 . . . . 0.0 111.023 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -53.13 -39.52 63.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.564 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.07 -35.05 91.35 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.7 ttp -60.7 -45.71 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.677 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.1 -49.4 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -61.67 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.27 97.8 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -64.01 -43.75 94.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -86.79 -0.24 56.02 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.427 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.1 89.32 1.09 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.582 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.9 tp -49.18 -49.81 40.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.744 0.307 . . . . 0.0 110.607 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -55.46 -48.68 74.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -44.24 97.63 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -54.19 33.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.43 -42.92 96.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.554 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.77 96.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.522 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -67.43 -29.14 68.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.475 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.61 -46.66 84.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt -82.7 -57.52 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 13' ' ' GLY . 10.1 mp0 -75.97 -49.29 18.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.997 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.84 16.66 1.86 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 69.9 136.16 0.1 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.405 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 52.8 p-90 -80.35 -32.27 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.933 0.397 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.405 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 23.6 m -82.94 -27.96 30.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.674 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.86 -46.42 83.57 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 18.8 ttp -62.81 -40.71 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.971 0.415 . . . . 0.0 110.453 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.49 -43.55 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -58.15 -38.41 76.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.52 83.64 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -57.81 -42.15 83.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.768 0.318 . . . . 0.0 110.498 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.01 -38.72 76.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.76 88.16 0.37 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.317 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.53 -51.29 67.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -60.44 -47.03 87.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.36 95.6 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.36 88.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.74 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.45 -43.77 97.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -64.08 -45.28 89.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.85 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.54 -42.14 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.475 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 1.0 OUTLIER -56.6 -25.8 53.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.7 -179.626 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.29 3.03 8.35 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 78.26 124.05 0.32 Allowed Glycine 0 N--CA 1.462 0.368 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -62.51 -27.45 69.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.309 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m -77.57 -20.38 54.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -44.92 94.84 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.1 ttp -58.97 -47.17 86.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.639 0.257 . . . . 0.0 110.697 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -44.09 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.27 77.26 Favored Glycine 0 CA--C 1.519 0.282 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -59.34 -50.61 73.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.915 0.388 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -72.85 -40.29 65.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.527 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.25 53.52 1.46 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.565 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.676 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.67 -46.02 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -65.88 -43.54 88.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.327 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.65 82.79 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.96 -44.85 83.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.726 0.298 . . . . 0.0 110.67 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.45 -45.2 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.09 -45.34 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.85 69.9 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.18 -40.7 96.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.85 0.357 . . . . 0.0 110.281 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.14 -30.05 34.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.302 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 3.1 mp0 -92.06 -52.24 4.8 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -107.06 34.77 5.47 Favored Glycine 0 N--CA 1.482 1.704 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 39.46 -145.79 0.25 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.419 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.1 t-105 -53.84 -51.33 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.792 0.33 . . . . 0.0 111.041 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m -50.6 -37.21 38.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.51 -35.84 90.6 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -60.41 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.616 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 14' ' ' TRP . 83.0 mt -62.84 -51.71 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.747 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -61.3 -43.15 99.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.784 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.84 -39.17 97.14 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -63.03 -45.0 94.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.554 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -69.09 -35.45 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.76 4.88 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.557 -179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.8 -44.25 93.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.816 0.341 . . . . 0.0 110.268 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -63.34 -39.29 94.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.69 -43.44 99.25 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.69 72.23 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.94 -43.27 97.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.04 92.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.474 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -65.22 -29.62 70.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.84 -45.94 90.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.08 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt -84.86 -56.93 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.76 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' B' ' 13' ' ' GLY . 1.4 mp0 -75.35 -48.5 22.75 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -74.29 11.8 6.25 Favored Glycine 0 N--CA 1.464 0.52 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 76.34 136.29 0.65 Allowed Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.501 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 43.7 p-90 -80.66 -38.95 28.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.191 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.501 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 7.4 m -79.28 -25.76 42.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.79 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.21 -33.49 64.82 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 22.3 ttp -74.6 -36.48 62.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.859 0.361 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 91.4 mt -67.94 -42.39 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.056 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.407 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.82 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.85 74.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -57.49 -39.37 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.835 0.35 . . . . 0.0 110.449 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -77.77 -37.94 47.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.46 105.32 2.16 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.54 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 60.2 tp -52.85 -52.67 56.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -63.43 -44.37 94.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.69 -39.2 94.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.68 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.13 -44.54 98.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.433 . . . . 0.0 110.069 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -62.86 -41.41 99.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -26.27 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -68.9 -42.67 76.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.36 -40.62 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.956 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.9 OUTLIER -54.66 -25.62 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.44 -0.89 25.99 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.96 113.57 0.61 Allowed Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -55.68 -35.56 66.16 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.935 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m -74.74 -19.09 60.37 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -42.1 77.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.54 -42.95 97.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 110.663 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.56 -47.82 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.872 0.367 . . . . 0.0 110.376 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.72 -47.94 78.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.37 -17.99 71.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -73.67 -43.31 59.74 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -80.4 -25.17 39.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.62 44.41 3.09 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.621 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.233 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.36 -45.54 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.725 0.297 . . . . 0.0 110.219 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.03 -41.49 90.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.178 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -38.55 89.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.93 93.86 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.68 -45.77 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.99 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.495 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.43 67.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.73 -42.86 85.62 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.097 0.475 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.2 mt -75.46 -22.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -51.21 5.08 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.84 -2.58 34.43 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.021 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 -147.51 27.45 Favored Glycine 0 C--N 1.307 -1.062 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -52.58 -51.0 61.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.353 . . . . 0.0 110.928 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 m -54.56 -39.68 67.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.89 93.16 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.8 ttp -56.72 -48.35 77.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.16 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.91 -46.79 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -39.08 97.34 Favored Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -61.52 -49.5 76.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -70.45 -34.97 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.488 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.1 106.14 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.516 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.54 -41.35 69.24 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -64.64 -38.75 92.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 -43.44 98.04 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.2 74.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.818 0.342 . . . . 0.0 110.653 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.99 -43.15 97.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.82 77.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.449 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.355 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.37 -44.86 92.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.025 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 80.2 mt -87.86 -58.59 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.001 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -70.71 -46.24 63.45 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.759 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.32 4.96 23.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.8 111.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -62.03 -38.49 88.88 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.033 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.9 m -66.7 -37.79 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 110.26 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.6 -31.33 67.99 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 23.8 ttp -68.54 -41.49 79.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -64.07 -42.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.62 -40.19 90.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.466 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.54 94.16 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -56.36 -38.49 71.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -69.74 -41.89 74.67 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.95 87.53 0.47 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.551 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.75 -49.12 78.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.833 0.349 . . . . 0.0 110.571 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -62.24 -41.63 98.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.53 -37.71 89.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.11 84.77 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.701 0.286 . . . . 0.0 110.758 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.68 -42.66 95.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.949 0.405 . . . . 0.0 110.094 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -62.2 -45.54 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.87 -29.13 67.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.938 0.399 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.11 -42.51 89.1 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.5 mt -82.69 -37.76 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.768 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.27 4.17 5.1 Favored Glycine 0 C--N 1.34 0.79 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 90.12 110.17 1.38 Allowed Glycine 0 N--CA 1.467 0.756 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.0 OUTLIER -61.41 -24.78 66.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.896 0.379 . . . . 0.0 110.368 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 15' ' ' THR . . . . . 0.546 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 5.8 m -75.38 -15.91 60.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -43.56 87.49 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 62.5 ttp -56.74 -46.25 81.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.619 0.247 . . . . 0.0 110.775 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.8 -43.8 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.55 -49.46 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.12 84.78 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -52.56 -52.05 56.82 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.3 -41.97 55.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.71 83.43 1.03 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.631 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.24 -45.63 72.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.58 0.69 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -66.49 -48.55 69.48 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.16 -35.84 79.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.15 80.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.25 -44.24 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.434 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.58 -45.86 77.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.487 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -26.42 66.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -65.77 -41.13 92.43 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.972 0.415 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.91 -34.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.305 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 6.0 mp0 -88.36 -50.74 6.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.14 31.84 7.56 Favored Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.769 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.57 -144.2 0.54 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.461 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.4 t-105 -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -57.44 -40.78 79.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.817 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.97 -36.29 90.76 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.5 ttp -58.64 -46.94 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.47 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.461 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.8 mt -61.83 -49.59 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.0 -41.15 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.961 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.82 -40.92 99.84 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -62.14 -44.97 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -83.04 -0.55 49.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.38 81.82 0.7 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.3 tp -65.06 -46.92 79.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.686 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -56.72 -46.75 81.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' B' ' 8' ' ' ALA . . . -65.24 -36.81 93.27 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.81 64.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.99 -45.05 80.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.34 63.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.61 ' HA ' ' H ' ' B' ' 12' ' ' GLY . . . -57.2 -32.29 66.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.516 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.26 -51.15 65.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.414 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mt -87.83 -43.75 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 13' ' ' GLY . 16.6 mp0 -81.25 -62.61 1.61 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.001 0.429 . . . . 0.0 110.581 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.61 ' H ' ' HA ' ' B' ' 8' ' ' ALA . . . -72.02 23.0 0.72 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 71.28 142.67 0.28 Allowed Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.494 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 19.7 p-90 -80.42 -39.54 28.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.763 0.316 . . . . 0.0 110.548 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.494 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 8.6 m -75.36 -20.16 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.65 97.16 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.94 -38.98 87.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.974 0.416 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.02 -43.56 97.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.546 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -43.06 94.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.08 94.37 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -64.22 -38.79 92.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.842 0.353 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.91 -41.07 62.63 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.454 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.77 87.88 0.11 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.561 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.85 -47.41 85.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 110.479 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -70.21 -37.55 75.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.343 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.42 83.46 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.46 77.79 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.517 0.199 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.71 -41.0 88.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.3 62.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.25 77.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.774 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.77 -46.69 77.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.467 ' C ' ' H ' ' C' ' 12' ' ' GLY . 96.1 mt -69.19 -44.45 80.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER -59.77 -0.75 0.21 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 12' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' C' ' 10' ' ' ILE . . . -77.27 12.57 12.83 Favored Glycine 0 C--N 1.339 0.719 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.25 125.28 0.09 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -52.44 -37.37 56.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.852 0.358 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.1 m -73.66 -22.16 60.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.676 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -41.51 90.11 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 42.9 ttp -61.24 -46.72 89.23 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.18 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.32 -45.11 84.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.45 -37.12 93.43 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -57.61 -52.49 65.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.89 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.22 -39.86 74.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.474 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.29 41.25 2.9 Favored Glycine 0 N--CA 1.465 0.623 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.578 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.2 tp -59.62 -48.52 81.35 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.389 -0.525 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -64.66 -42.53 95.33 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.547 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.54 -35.64 86.34 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.11 91.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.77 -47.31 86.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.404 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -65.09 -44.16 89.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.41 72.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -64.47 -41.41 96.52 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 120.92 0.391 . . . . 0.0 110.664 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -73.27 -26.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.211 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 3.3 mp0 -94.13 -52.18 4.5 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.07 27.85 15.89 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.0 -145.86 2.12 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 18' ' ' ILE . 24.8 t-105 -55.82 -41.89 74.91 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -59.72 -39.67 85.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.89 89.1 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.21 -49.57 71.61 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.626 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 14' ' ' TRP . 72.8 mt -62.13 -51.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.478 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -57.19 -46.01 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.77 -39.52 97.53 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -63.22 -46.95 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 110.46 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -70.41 -31.1 68.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.59 96.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.486 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.48 -44.11 97.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.492 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -64.68 -33.21 75.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.448 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.93 88.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.754 0.311 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.83 -45.37 97.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.45 80.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.513 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -60.46 -37.59 81.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.94 -43.56 81.63 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.173 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -85.85 -57.75 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' B' ' 13' ' ' GLY . 16.0 mp0 -75.86 -46.87 28.0 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.27 10.05 5.07 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.65 118.13 0.01 OUTLIER Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -63.93 -39.03 93.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 6.9 m -70.97 -36.16 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.49 -37.5 93.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.81 -39.06 90.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.511 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.13 -44.55 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.55 -38.17 80.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.24 99.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -60.71 -42.75 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.469 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.94 -40.01 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.522 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.32 95.68 0.02 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.55 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.25 -51.28 70.21 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.453 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.14 -41.03 95.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.49 -36.33 91.33 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.05 72.07 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.934 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.67 -43.13 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.938 0.399 . . . . 0.0 110.213 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.428 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -63.45 -43.51 97.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.561 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.33 -23.46 54.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -69.12 -44.35 72.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.96 -46.87 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER -62.63 -25.18 67.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.656 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.45 -0.96 26.46 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.96 122.84 0.54 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.683 0.278 . . . . 0.0 110.436 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.7 m -65.47 -22.02 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.626 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.25 -42.95 90.21 Favored Glycine 0 C--N 1.334 0.419 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.8 ttp -58.57 -43.7 89.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.668 0.271 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.49 -42.7 87.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.51 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -57.48 -45.99 84.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.38 86.96 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -52.86 63.44 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.263 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.82 -38.24 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.442 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.23 57.52 4.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.527 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.54 -48.79 76.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.86 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -63.21 -45.0 93.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.57 -32.18 83.3 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.57 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.39 -47.33 78.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.87 88.79 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.84 75.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 34.7 t80 -59.82 -38.95 83.43 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.41 -37.64 51.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.63 -49.91 9.32 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -110.56 32.25 6.75 Favored Glycine 0 N--CA 1.479 1.524 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.71 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.32 -144.65 0.67 Allowed Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -55.01 -40.78 70.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.362 . . . . 0.0 110.752 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -59.41 -40.2 85.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.642 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -36.85 89.51 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 ttp -54.68 -50.1 69.05 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.673 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.74 -50.17 81.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -45.67 85.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.772 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.58 99.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -61.34 -40.82 95.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' SER . 12.2 m-85 -79.05 -38.22 37.0 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.679 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.52 93.95 0.01 OUTLIER Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.9 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.584 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.454 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.03 -46.08 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.688 0.28 . . . . 0.0 110.537 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -60.69 -41.39 95.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.484 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -42.1 99.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.83 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.2 -43.39 95.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.08 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.481 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -63.84 -34.4 77.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.482 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' TRP . 17.0 t80 -53.09 -49.28 66.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.133 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.68 -58.35 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 13' ' ' GLY . 23.4 mp0 -69.34 -51.19 39.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.803 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -72.26 15.32 2.0 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 59.22 116.52 0.01 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 9' ' ' PHE . 39.3 p-90 -59.14 -31.05 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.919 0.39 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.5 m -79.66 -25.4 41.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.73 -42.76 92.99 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 11.5 ttp -60.59 -39.45 88.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.67 -43.16 96.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.624 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -63.12 -38.1 89.82 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -51.42 56.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -53.76 -44.62 70.16 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.838 0.351 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.02 -42.6 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.39 95.3 0.01 OUTLIER Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.486 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.83 -53.04 62.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.763 0.316 . . . . 0.0 110.475 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -63.24 -33.33 75.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.85 -36.39 92.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.9 76.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.94 -39.45 85.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.48 97.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.88 78.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.83 -43.82 95.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.03 -42.3 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.658 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -52.8 -26.66 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.69 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.29 -0.45 22.35 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.64 139.77 0.8 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -74.37 -36.93 63.59 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 23.8 m -70.41 -23.06 62.68 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.5 76.06 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 40.1 ttp -57.85 -47.53 82.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.704 0.288 . . . . 0.0 111.078 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -45.74 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.764 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -52.87 -44.51 66.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -40.9 87.17 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -48.15 -58.77 4.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.122 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -64.69 -30.33 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.73 91.23 1.67 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp -62.65 -52.38 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.32 -39.71 94.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.93 91.81 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.53 83.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.33 -44.46 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -64.52 -43.23 94.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.542 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.79 59.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 37.8 t80 -68.29 -41.11 81.45 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -79.01 -31.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.6 mp0 -81.94 -52.09 7.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.71 -11.43 30.66 Favored Glycine 0 N--CA 1.477 1.428 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 86.36 -147.04 21.27 Favored Glycine 0 N--CA 1.468 0.797 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.412 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -56.91 -40.05 75.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.769 0.319 . . . . 0.0 110.745 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.0 m -65.52 -42.67 91.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.5 -34.46 89.23 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.3 ttp -59.69 -45.91 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.95 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.797 0.332 . . . . 0.0 110.572 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -61.17 -36.72 80.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.682 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.19 -41.44 92.1 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -69.87 -35.5 74.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.781 0.324 . . . . 0.0 110.684 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -77.13 -39.79 47.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.555 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.66 108.0 0.46 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.515 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.26 -44.33 92.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.441 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -68.8 -38.05 79.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.22 -41.49 59.59 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.06 50.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.765 0.316 . . . . 0.0 110.945 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.19 -45.22 99.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -67.91 -46.79 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.493 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -61.44 -28.37 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -63.58 -51.85 63.55 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.12 -53.72 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' B' ' 13' ' ' GLY . 24.6 mp0 -80.22 -51.46 8.92 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.344 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.46 18.45 1.28 Allowed Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 64.61 138.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -79.99 -32.02 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.33 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 4.8 m -82.18 -25.53 34.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.39 -43.36 99.17 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.7 ttp -65.81 -44.24 86.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.6 mt -58.87 -44.51 90.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.86 -43.67 98.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.79 93.44 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -70.2 -40.77 74.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -38.36 77.55 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 96.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.569 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' C' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tp -52.05 -57.03 10.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.806 0.336 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -62.07 -46.76 87.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -35.04 91.48 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' C' ' 1' ' ' GLY . . . -66.85 -46.29 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.703 0.287 . . . . 0.0 110.738 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.67 -44.11 98.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.921 0.391 . . . . 0.0 110.01 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.89 98.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.29 73.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.564 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.46 -44.59 82.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.429 ' C ' ' N ' ' C' ' 12' ' ' GLY . 53.0 mt -70.24 -45.25 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER -49.64 -15.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.466 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 12' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' C' ' 10' ' ' ILE . . . -70.89 4.46 9.97 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.97 126.7 0.13 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -61.59 -36.04 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.713 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -73.39 -22.72 60.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.643 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.37 89.3 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 28.9 ttp -59.19 -48.88 79.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.68 0.276 . . . . 0.0 110.945 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.03 -48.02 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.869 0.366 . . . . 0.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.54 -48.86 76.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.59 81.28 Favored Glycine 0 C--O 1.23 -0.119 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -59.75 -51.21 70.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.981 0.42 . . . . 0.0 110.106 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' TYR . . . . . 0.445 ' C ' ' H ' ' C' ' 24' ' ' SER . 53.8 m-85 -68.89 -39.62 79.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.497 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.93 39.73 0.8 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.445 ' H ' ' C ' ' C' ' 22' ' ' TYR . 27.8 t . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.579 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp -60.81 -54.07 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.798 0.333 . . . . 0.0 110.195 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.54 -40.28 89.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.214 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.31 -38.13 84.88 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.82 92.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.34 -45.04 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.77 86.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 16' ' ' GLY . . . -69.1 -26.71 65.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.524 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -66.1 -41.15 91.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 120.968 0.413 . . . . 0.0 110.414 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.0 mt -74.12 -26.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.228 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.45 -53.99 3.7 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.18 27.92 15.52 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.46 -145.37 2.73 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.647 ' HE1' HD11 ' A' ' 18' ' ' ILE . 56.6 t-105 -53.28 -52.07 60.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -52.44 -41.54 63.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . -63.94 -38.73 96.49 Favored Glycine 0 C--N 1.314 -0.693 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.2 ttp -57.84 -46.48 84.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.616 0.246 . . . . 0.0 110.635 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 ' HE1' ' A' ' 14' ' ' TRP . 60.6 mt -60.75 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -60.24 -42.68 95.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.83 98.05 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -64.41 -43.88 92.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.625 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -63.12 -29.93 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.447 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.47 129.73 29.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.484 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.37 -34.27 47.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.773 0.321 . . . . 0.0 110.421 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -59.75 -43.09 94.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.93 98.37 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.401 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.58 -44.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.76 96.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -68.43 -26.47 65.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -67.08 -39.17 86.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -84.59 -49.43 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.09 -46.5 20.59 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -78.15 16.76 6.86 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.83 142.63 0.06 OUTLIER Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -79.73 -40.56 28.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.343 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -76.98 -18.24 58.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.85 -50.78 22.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 23.8 ttp -65.39 -40.48 93.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.786 0.327 . . . . 0.0 110.542 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.39 -43.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.28 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.83 -42.84 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.422 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.63 -41.74 97.5 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -60.62 -46.84 88.77 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.24 -35.78 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.31 89.21 0.34 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.222 -0.372 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.555 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 31.6 tp -56.71 -57.14 13.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -64.39 -41.64 96.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -35.17 91.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.64 95.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.735 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.36 -44.08 97.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.916 0.388 . . . . 0.0 110.158 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.75 83.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -28.56 65.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -66.39 -39.9 89.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.997 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.11 -41.81 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.7 OUTLIER -52.6 -40.34 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.569 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.5 6.29 4.73 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 68.99 99.24 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.575 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.6 OUTLIER -57.49 -25.94 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 15' ' ' THR . . . . . 0.575 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 2.9 m -81.25 -25.15 36.83 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.378 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.26 -52.57 48.6 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.31 . . . . 0.0 110.726 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.77 -45.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.273 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -55.66 -47.85 76.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.458 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.2 -36.68 93.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -58.46 -54.9 41.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.927 0.394 . . . . 0.0 110.072 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -63.76 -37.74 88.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.28 92.45 0.41 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.608 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.1 tp -51.87 -55.59 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -65.58 -44.7 85.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.414 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.01 69.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.68 83.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.1 -45.97 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.04 80.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 43.5 t80 -62.22 -40.32 95.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.38 -36.72 55.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -83.71 -53.36 5.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.585 0.231 . . . . 0.0 111.482 -178.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -105.33 34.84 5.48 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 37.56 -145.13 0.13 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.471 ' HE1' HD11 ' A' ' 18' ' ' ILE . 29.6 t-105 -54.02 -50.75 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -49.89 -37.9 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.753 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -37.59 90.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttp -54.11 -50.96 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HE1' ' A' ' 14' ' ' TRP . 81.8 mt -62.46 -53.38 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.3 -46.66 79.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.718 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.84 96.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -61.16 -45.91 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.54 -35.18 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.03 104.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.447 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -46.01 91.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.689 0.281 . . . . 0.0 110.602 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -60.98 -45.3 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.02 -46.71 92.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.57 67.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.714 0.292 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -41.76 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.441 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.69 -46.13 89.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.493 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.527 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -61.19 -37.05 81.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.33 -43.14 83.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.453 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.51 -57.41 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 13' ' ' GLY . 21.7 mp0 -75.62 -49.83 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.37 25.77 0.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.02 132.76 0.01 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.509 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 61.9 p-90 -79.64 -36.66 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.567 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.509 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 15.7 m -77.26 -25.17 51.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.81 79.84 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.86 -39.0 80.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 110.685 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.59 -43.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.442 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.45 -40.78 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.495 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.03 -46.06 94.26 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -64.12 -46.05 85.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.338 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.23 -34.53 77.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.06 105.56 1.72 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.479 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.95 -56.13 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -63.53 -42.15 98.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -38.21 94.5 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.54 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -61.43 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.91 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.14 -41.26 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.97 -43.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.3 OUTLIER -53.5 -24.93 14.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.515 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.09 7.87 2.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.1 132.88 0.19 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -67.84 -44.45 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.522 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.585 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.63 -41.73 64.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 54.2 ttp -59.28 -45.39 91.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.757 0.313 . . . . 0.0 110.549 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.71 -46.52 88.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.23 84.94 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.47 -54.29 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.875 0.369 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -66.43 -37.08 84.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.18 103.48 0.73 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.573 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.25 -46.63 85.98 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.218 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.476 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.67 -35.74 87.15 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.49 86.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.652 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.72 -45.49 87.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.26 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.69 67.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -66.15 -41.92 89.73 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.953 0.406 . . . . 0.0 110.669 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.08 -28.98 31.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -92.83 -52.39 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.51 29.82 10.42 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.65 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.82 -143.96 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.802 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -54.82 -52.44 62.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.724 0.297 . . . . 0.0 110.925 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 m -50.86 -38.42 49.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.695 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.66 85.79 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.4 ttp -55.96 -49.66 72.94 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' HE1' ' A' ' 14' ' ' TRP . 65.9 mt -62.49 -51.69 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.671 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -56.67 -45.62 81.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -38.49 96.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.62 -46.77 86.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 24' ' ' SER . 27.2 m-85 -76.49 -34.58 58.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.59 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.12 88.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.1 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.65 -50.35 74.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.857 0.36 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.96 -44.93 95.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.15 -40.56 93.86 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.09 97.16 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.638 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.72 -42.53 95.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.412 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -64.21 -48.48 75.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -64.43 -34.49 78.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' TRP . 45.0 t80 -51.1 -50.78 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mt -82.43 -59.04 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.0 0.428 . . . . 0.0 110.96 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' B' ' 13' ' ' GLY . 26.0 mp0 -71.96 -51.94 19.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -71.03 12.37 2.24 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 72.6 126.28 0.09 OUTLIER Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' B' ' 9' ' ' PHE . 58.4 p-90 -68.91 -26.71 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.386 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 66.2 m -82.59 -15.76 51.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.68 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.6 51.47 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 10.5 ttp -56.92 -39.92 75.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.451 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.65 -45.3 99.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -55.19 -41.62 72.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.3 94.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -62.88 -45.58 91.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.897 0.38 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -74.25 -11.1 60.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.439 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.92 74.61 0.47 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.561 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.462 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.98 -50.22 69.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.4 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -64.95 -38.93 92.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -39.61 98.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.99 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.689 0.28 . . . . 0.0 110.741 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.64 -42.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.945 0.402 . . . . 0.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.31 87.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.77 57.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.58 -45.3 94.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.69 -52.61 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.678 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.37 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.63 -1.78 54.18 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.85 146.6 4.88 Favored Glycine 0 N--CA 1.465 0.603 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -77.56 -32.22 53.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -78.14 -17.95 56.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.99 96.35 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.9 ttp -59.53 -47.56 85.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.75 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.459 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.11 -45.84 89.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.26 -40.19 91.39 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -55.85 -53.75 52.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.21 -28.97 69.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.75 73.4 1.21 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.636 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.094 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.45 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -65.93 -44.3 85.52 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.55 -37.29 88.4 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.74 96.67 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 99.4 mt -67.45 -44.55 86.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.5 -44.74 81.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.486 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.87 68.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -63.33 -40.94 98.7 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.042 0.449 . . . . 0.0 110.55 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.84 -38.44 65.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.7 mp0 -83.09 -51.56 7.41 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.75 5.96 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.749 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.33 -145.6 0.38 Allowed Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.52 ' HE1' HD11 ' A' ' 18' ' ' ILE . 59.5 t-105 -53.04 -51.22 62.46 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.734 0.302 . . . . 0.0 110.992 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -50.57 -40.17 51.53 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.54 93.7 Favored Glycine 0 C--N 1.312 -0.762 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -57.79 -46.44 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.52 HD11 ' HE1' ' A' ' 14' ' ' TRP . 56.2 mt -61.51 -49.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.59 -42.98 97.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -39.67 98.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -60.26 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.957 0.408 . . . . 0.0 110.382 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -66.77 -34.68 78.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.41 106.8 0.07 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.2 -34.3 76.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -60.96 -41.78 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.482 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.29 -43.54 99.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.04 71.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.862 0.363 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.64 -43.01 87.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.13 95.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.577 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -65.7 -27.04 68.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.464 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.36 -46.6 85.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 -54.28 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.826 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 16.8 mp0 -74.08 -48.29 30.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.971 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -78.1 19.08 4.67 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 65.81 146.75 0.06 OUTLIER Glycine 0 CA--C 1.518 0.258 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.522 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 19.9 p-90 -80.9 -48.13 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.522 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 90.5 m -68.55 -30.42 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.05 -43.38 97.01 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttp -65.73 -44.61 85.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.688 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.58 -41.72 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -61.15 -44.31 97.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.386 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.72 -41.28 95.77 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 22.8 t-105 -63.62 -47.1 82.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' B' ' 24' ' ' SER . 11.2 m-85 -67.97 -42.57 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.75 79.64 0.02 OUTLIER Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 22' ' ' TYR . 14.9 t . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.85 -56.29 23.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.57 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.25 -43.08 99.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.74 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.24 -34.76 90.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.1 91.54 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.67 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.21 -43.89 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.02 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -67.28 -45.78 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.02 94.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.667 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.17 -41.78 93.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.12 -43.55 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.4 OUTLIER -52.1 -37.06 52.87 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.513 -179.51 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.85 7.54 2.21 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.06 102.43 0.07 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' C' ' 15' ' ' THR . 1.0 OUTLIER -61.32 -34.8 75.84 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 120.866 0.365 . . . . 0.0 110.614 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 15' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 4.0 m -67.42 -21.93 65.55 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -44.17 93.75 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.7 ttp -63.25 -50.22 71.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.662 0.267 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.75 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.82 -47.72 83.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.43 -24.93 68.1 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -72.77 -58.2 3.52 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.89 -12.12 52.12 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.62 96.26 2.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.499 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.497 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.03 -54.43 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.379 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -66.18 -41.02 90.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.91 90.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.49 88.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.67 -44.12 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.31 -45.49 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.5 66.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.594 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 27.4 t80 -63.35 -40.59 97.69 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.95 -40.39 68.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.233 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.6 mp0 -81.41 -54.08 5.76 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -102.9 31.4 8.79 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 39.72 -146.61 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -53.11 -52.21 59.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -50.53 -38.16 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.74 -36.24 86.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.6 ttp -57.39 -49.03 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.557 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.428 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.9 mt -61.97 -48.34 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.503 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.76 -47.72 83.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.46 92.47 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -61.18 -49.09 78.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.532 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.34 -34.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -41.79 109.86 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.429 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.1 tp -67.3 -48.12 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 110.62 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.4 -42.61 96.31 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.62 -42.39 94.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.9 63.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.66 -43.1 98.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.947 0.403 . . . . 0.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.65 -40.11 96.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.482 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -75.06 -22.81 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.523 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.4 -43.62 98.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.298 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -87.08 -54.59 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 13' ' ' GLY . 30.3 mp0 -79.87 -47.79 14.52 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.832 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -71.69 18.11 1.1 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 57.03 118.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.424 ' CE2' ' OG1' ' B' ' 15' ' ' THR . 56.7 p-90 -71.76 -33.04 68.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.876 0.369 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.424 ' OG1' ' CE2' ' B' ' 14' ' ' TRP . 4.4 m -78.02 -29.51 49.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -34.6 88.72 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 29.3 ttp -69.27 -37.3 77.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.594 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.8 -43.5 98.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.04 -45.72 93.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.994 0.426 . . . . 0.0 110.5 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.35 -37.29 87.09 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -65.82 -44.1 86.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.36 -15.75 62.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.94 106.11 3.11 Favored Glycine 0 N--CA 1.466 0.681 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.447 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 49.1 tp -57.86 -49.46 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.328 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -63.88 -40.83 97.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.69 96.43 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.14 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.567 0.222 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.8 -42.97 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.923 0.392 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.19 99.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.63 71.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.11 -40.79 82.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.35 -44.95 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -70.6 2.58 3.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.01 2.56 84.13 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.07 129.08 0.6 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -71.31 -42.84 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.617 0.246 . . . . 0.0 110.617 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m -65.34 -18.46 65.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.838 0.351 . . . . 0.0 110.446 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.02 -24.37 76.04 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 64.1 ttp -74.54 -47.81 30.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.38 -42.69 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -57.89 -51.78 68.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -33.39 87.13 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -62.55 -54.48 39.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.983 0.42 . . . . 0.0 110.263 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' TYR . . . . . 0.424 ' C ' ' H ' ' C' ' 24' ' ' SER . 21.4 m-85 -73.83 -39.56 63.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.17 41.8 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.424 ' H ' ' C ' ' C' ' 22' ' ' TYR . 46.5 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.639 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.86 -53.88 51.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.312 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -66.77 -40.97 88.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.243 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -38.65 88.0 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.86 88.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.796 0.331 . . . . 0.0 110.603 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -45.14 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.67 88.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.582 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.4 71.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.41 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 50.4 t80 -60.63 -40.18 90.97 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.96 -38.08 63.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -54.5 4.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -104.2 30.79 9.52 Favored Glycine 0 N--CA 1.474 1.204 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.65 -146.56 0.54 Allowed Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.498 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.5 t-105 -53.63 -53.3 53.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -50.85 -37.01 40.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.39 -34.91 89.28 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.8 ttp -59.9 -46.64 88.69 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' HE1' ' A' ' 14' ' ' TRP . 77.7 mt -61.92 -50.18 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.544 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.49 -43.95 96.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.723 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.38 98.01 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -68.25 -41.51 81.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -70.57 -35.92 73.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.558 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.76 106.13 0.35 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.514 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 tp -50.92 -54.36 24.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.814 0.34 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -53.39 -49.16 67.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.05 99.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.97 9.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.62 -42.31 87.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.88 64.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.493 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.66 -26.26 68.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.2 -50.33 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.339 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 82.4 mt -81.04 -53.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 13' ' ' GLY . 1.9 mp0 -77.41 -52.42 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.573 ' O ' ' O ' ' B' ' 13' ' ' GLY . . . -72.29 26.1 0.7 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.573 ' O ' ' O ' ' B' ' 12' ' ' GLY . . . 53.03 121.94 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -67.11 -38.44 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.824 0.345 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 16.4 m -70.14 -41.25 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.96 90.77 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.3 ttp -63.12 -51.05 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -53.61 -48.41 59.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.359 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.37 -43.64 79.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.443 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.98 -40.18 98.98 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.83 -42.24 93.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.48 -40.38 50.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.17 65.85 2.62 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.55 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.64 -54.18 49.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.743 0.306 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -58.99 -47.01 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.35 95.42 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.08 75.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.672 0.273 . . . . 0.0 110.814 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.45 -41.83 91.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.194 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.453 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.62 -47.48 78.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.61 -43.84 88.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.3 -46.18 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.5 OUTLIER -55.52 -16.42 3.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.754 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.25 13.49 1.99 Allowed Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 65.06 138.7 0.02 OUTLIER Glycine 0 N--CA 1.462 0.422 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -71.93 -41.96 67.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.3 m -66.77 -37.58 84.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.703 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -39.14 97.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 29.7 ttp -57.96 -53.29 59.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.63 -40.1 78.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.398 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.56 -50.45 71.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -26.97 69.86 Favored Glycine 0 CA--C 1.513 -0.079 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -65.38 -53.91 36.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.951 0.405 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' TYR . . . . . 0.486 ' C ' ' H ' ' C' ' 24' ' ' SER . 16.7 m-85 -70.95 -37.13 72.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.76 37.0 0.6 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.486 ' H ' ' C ' ' C' ' 22' ' ' TYR . 38.5 t . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.72 -47.51 78.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.864 0.332 . . . . 0.0 110.593 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -64.82 -43.44 93.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -36.65 90.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.585 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.1 -45.61 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.38 86.09 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.58 63.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.444 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 32.8 t80 -66.97 -40.57 87.5 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.652 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.3 -19.66 13.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -96.46 -52.3 4.01 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.1 12.81 49.0 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 61.4 -145.98 48.46 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -55.37 -47.84 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.1 m -57.09 -40.29 76.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.743 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.7 91.79 Favored Glycine 0 C--N 1.309 -0.971 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.5 ttp -58.2 -46.85 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.56 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.0 -42.25 89.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.62 96.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -67.54 -38.29 83.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.891 0.377 . . . . 0.0 110.619 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.37 -20.94 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.2 127.39 35.15 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.009 -0.995 . . . . 0.0 110.497 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.425 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp -60.43 -45.51 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -56.08 -45.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.01 95.73 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.09 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.705 0.288 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.49 -47.95 84.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.88 0.371 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.432 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -61.42 -46.36 90.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.469 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.515 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -64.16 -32.21 73.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -55.67 -44.51 77.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.226 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.1 mt -87.32 -55.73 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 7' ' ' ALA . 30.7 mp0 -79.01 -46.72 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.965 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -69.07 -2.76 33.2 Favored Glycine 0 N--CA 1.461 0.345 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.56 117.24 0.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -67.57 -36.77 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -72.94 -32.13 65.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.12 -43.8 79.41 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.4 ttp -60.08 -41.49 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.421 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.93 -44.63 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.403 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -61.65 -38.11 86.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.08 -42.59 76.31 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -60.26 -44.03 95.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.843 0.354 . . . . 0.0 110.306 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.49 -43.12 95.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.07 76.25 0.24 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.519 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.96 -45.32 90.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.7 0.286 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.11 93.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.93 80.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.09 -43.22 98.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.64 97.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.17 -24.52 54.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.11 -43.79 86.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 -40.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER -67.62 -6.24 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.87 -11.23 83.7 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.96 109.68 1.01 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -48.35 -51.33 26.82 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.782 0.325 . . . . 0.0 110.402 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.2 -24.04 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -44.38 45.99 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 61.6 ttp -54.26 -48.46 71.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 110.81 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.55 -48.02 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.12 -44.76 83.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.08 -33.61 84.02 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -56.74 -56.26 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.773 0.321 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' C' ' 24' ' ' SER . 34.3 m-85 -59.44 -40.6 87.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.36 45.87 1.01 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.402 ' H ' ' C ' ' C' ' 22' ' ' TYR . 39.7 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.68 -57.74 9.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.43 -40.07 85.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.219 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.74 76.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.76 77.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.685 0.278 . . . . 0.0 110.629 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.01 -44.15 85.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.85 -45.23 78.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.92 71.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.88 -41.06 97.42 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 120.941 0.4 . . . . 0.0 110.619 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.84 -39.74 78.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.4 mp0 -82.15 -51.02 8.39 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.51 35.42 4.98 Favored Glycine 0 N--CA 1.482 1.719 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.798 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.19 -144.76 0.19 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' HE1' HD11 ' A' ' 18' ' ' ILE . 52.9 t-105 -52.45 -52.76 52.45 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 m -49.24 -38.31 26.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.19 -36.68 93.15 Favored Glycine 0 C--N 1.312 -0.794 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 ttp -59.1 -47.44 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.743 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 14' ' ' TRP . 89.2 mt -62.42 -52.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.629 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.69 -41.78 91.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.794 0.33 . . . . 0.0 110.775 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.39 97.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -67.9 -37.42 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 24' ' ' SER . 11.6 m-85 -80.12 -37.33 33.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 84.83 0.01 OUTLIER Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.702 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.28 -41.54 97.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.772 0.32 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -57.11 -50.17 73.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -40.18 98.13 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.62 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.726 0.298 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.17 -43.02 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.2 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -64.89 -35.73 82.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.265 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.31 -40.54 71.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.8 mt -85.93 -58.47 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -80.0 -46.91 15.79 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.219 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -75.95 11.83 10.35 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 150.16 7.81 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.508 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 41.6 p-90 -81.58 -38.5 26.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 110.605 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.508 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 11.2 m -84.25 -26.56 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.02 -43.93 93.06 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.97 -43.14 96.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 110.526 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.01 -44.07 99.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.344 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.71 -42.74 93.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.32 -39.05 96.66 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 -61.71 -42.81 99.45 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -73.81 -39.88 63.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.74 50.26 1.8 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.476 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' C' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 tp -47.07 -65.66 0.53 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.908 0.385 . . . . 0.0 110.475 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -62.26 -39.94 94.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 -34.41 89.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' C' ' 1' ' ' GLY . . . -63.86 -43.84 94.89 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.06 -46.45 88.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.206 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -65.59 -48.01 73.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -25.17 68.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.09 -39.72 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.08 -41.49 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.3 OUTLIER -48.8 -32.05 8.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.644 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.68 4.09 4.41 Favored Glycine 0 CA--C 1.517 0.168 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 81.69 110.99 0.38 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' C' ' 15' ' ' THR . 1.0 OUTLIER -65.93 -34.83 79.02 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 15' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 5.3 m -70.91 -41.37 71.33 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -40.95 26.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.3 ttp -67.21 -50.69 59.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.819 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.64 -42.26 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.23 -43.71 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 -34.66 90.49 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.39 -53.6 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.85 -41.07 78.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.39 86.12 0.07 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.65 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.996 0 N-CA-C 109.299 -1.52 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -67.31 -43.06 82.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.388 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.81 -41.03 92.37 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.86 -39.43 91.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.29 96.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 110.568 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.69 -44.89 89.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.95 -45.06 78.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -24.19 64.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 42.4 t80 -68.93 -40.25 79.13 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.72 -29.51 20.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -92.14 -56.23 3.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.629 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.37 28.76 14.52 Favored Glycine 0 N--CA 1.471 0.991 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 42.21 -146.97 0.62 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.4 t-105 -54.33 -52.68 60.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.728 0.299 . . . . 0.0 111.015 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -51.51 -38.81 55.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.792 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.04 -38.57 92.68 Favored Glycine 0 C--N 1.313 -0.711 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.77 -47.62 76.72 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.447 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.6 mt -61.77 -46.27 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -62.81 -45.03 94.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -39.27 97.39 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -63.91 -44.41 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -83.35 -2.65 56.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.47 151.14 41.17 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.486 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.55 -46.9 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.725 0.298 . . . . 0.0 110.473 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -53.92 -44.81 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.77 -48.65 76.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.53 -51.86 57.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 110.634 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.07 -48.26 86.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.5 91.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.8 -35.55 80.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -54.15 -44.11 71.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.301 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 mt -89.39 -57.47 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.61 -46.55 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -71.62 5.8 10.35 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.63 111.33 0.04 OUTLIER Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.495 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 29.2 p-90 -50.56 -45.72 57.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.807 0.337 . . . . 0.0 110.453 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.495 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 24.7 m -72.83 -25.38 61.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.49 92.06 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 18.8 ttp -70.56 -37.1 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.69 -46.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.306 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.58 -36.64 81.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.564 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.16 -36.73 90.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -69.06 -40.71 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 110.682 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.98 -42.73 80.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 78.09 0.7 Allowed Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.603 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -75.98 -44.24 40.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.831 0.348 . . . . 0.0 110.82 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -64.8 -37.01 86.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.556 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.5 -41.59 76.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.82 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.638 0.256 . . . . 0.0 110.804 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.51 -43.41 86.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 120.893 0.378 . . . . 0.0 110.007 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.89 -47.03 79.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.84 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' PHE . . . . . 0.528 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 41.3 t80 -69.75 -43.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.57 -42.34 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER -61.56 -18.5 59.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.606 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.01 -4.33 58.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.03 126.29 0.22 Allowed Glycine 0 N--CA 1.463 0.448 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -55.25 -52.25 64.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.351 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -26.8 68.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.44 79.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' MET . . . . . 0.528 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.7 ttp -58.6 -44.24 89.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.768 0.318 . . . . 0.0 110.784 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.93 -43.1 93.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.948 0.404 . . . . 0.0 110.739 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -58.46 -43.05 88.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -36.12 66.55 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.71 -56.83 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.134 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' C' ' 24' ' ' SER . 44.3 m-85 -65.08 -41.79 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.7 45.48 0.86 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' SER . . . . . 0.417 ' H ' ' C ' ' C' ' 22' ' ' TYR . 34.7 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.43 -55.74 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.821 0.343 . . . . 0.0 110.192 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -65.88 -41.67 91.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.236 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.56 -38.21 86.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.55 -46.38 86.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.77 92.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.25 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 36.1 t80 -65.39 -41.24 93.89 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 120.885 0.374 . . . . 0.0 110.363 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.24 -29.89 22.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.58 -53.72 4.4 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.71 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.17 28.63 13.84 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 44.35 -146.25 1.65 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.513 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.0 t-105 -54.42 -50.33 67.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -53.51 -39.62 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.87 -36.34 92.01 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.78 -47.26 83.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.466 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 14' ' ' TRP . 66.4 mt -61.52 -48.82 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.25 -47.95 83.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.48 94.74 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -66.5 -40.2 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -89.18 -2.37 58.47 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.68 92.26 1.32 Allowed Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.03 -45.17 93.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.321 . . . . 0.0 110.425 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -66.41 -42.46 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -38.86 95.46 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.56 41.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -66.33 -36.14 76.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.31 -48.12 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.24 67.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.52 -46.67 46.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -83.61 -58.49 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.826 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 13' ' ' GLY . 8.8 mp0 -74.03 -45.32 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.5 15.49 2.07 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 52.14 100.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.454 ' CZ2' ' OG1' ' B' ' 15' ' ' THR . 37.0 p-90 -47.12 -44.6 21.63 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.793 0.33 . . . . 0.0 110.791 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.454 ' OG1' ' CZ2' ' B' ' 14' ' ' TRP . 24.9 m -66.35 -35.62 80.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.49 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.23 -37.79 95.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.3 ttp -63.77 -44.46 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.752 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.89 -45.17 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -56.89 -42.07 79.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -41.77 97.79 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -60.27 -40.17 89.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.29 -43.22 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.27 91.41 0.01 OUTLIER Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.41 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.24 -56.63 17.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -66.17 -48.73 69.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.64 -35.03 84.47 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.16 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.98 -44.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.02 77.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.417 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.759 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -66.1 -41.02 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.52 -41.9 49.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.725 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -63.69 -16.52 61.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.673 -179.354 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.68 8.03 8.11 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 70.96 104.07 0.05 OUTLIER Glycine 0 C--O 1.236 0.223 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -49.19 -41.32 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 15.4 m -62.07 -22.71 65.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.79 92.97 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.49 -50.67 73.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.604 0.24 . . . . 0.0 111.15 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.93 -42.38 94.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.228 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.28 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.04 66.8 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.62 -48.58 38.38 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.929 0.395 . . . . 0.0 110.265 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -74.92 -33.93 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.44 46.02 3.35 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.59 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.48 -49.35 77.92 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.625 0.25 . . . . 0.0 110.379 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -65.27 -39.53 92.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.051 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.52 91.18 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.62 95.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.67 -45.37 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.09 87.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -68.79 -28.07 66.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.82 -40.88 92.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.26 -27.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -54.7 3.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -103.97 30.88 9.39 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.83 -148.16 0.43 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.525 ' HE1' HD11 ' A' ' 18' ' ' ILE . 21.5 t-105 -56.18 -38.97 71.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.682 0.277 . . . . 0.0 110.696 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 m -61.26 -36.22 79.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.62 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -70.54 -36.11 68.2 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -59.04 -45.8 89.85 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.17 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.525 HD11 ' HE1' ' A' ' 14' ' ' TRP . 53.5 mt -62.92 -51.11 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.61 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.94 -22.32 65.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.89 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.49 -40.47 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -30.04 53.11 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.699 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -79.87 -39.16 31.16 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.437 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 120.69 9.4 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.499 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.29 -46.8 87.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.798 0.332 . . . . 0.0 110.453 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -57.06 -44.79 83.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.515 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.45 57.48 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -53.64 47.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.77 0.319 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 88.5 mt -66.58 -43.15 90.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.43 -45.5 92.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.97 65.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -59.38 -49.7 76.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mt -83.92 -57.07 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 13' ' ' GLY . 26.8 mp0 -72.53 -54.97 7.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.24 24.0 0.73 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.22 137.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -80.01 -36.92 35.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.341 . . . . 0.0 110.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -71.62 -33.48 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -40.49 99.13 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 19.9 ttp -60.33 -46.01 91.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.69 -45.92 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.414 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -29.1 74.06 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -71.19 -45.53 63.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 110.56 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.09 -28.9 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.74 90.99 1.65 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.427 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.2 -55.62 30.95 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.524 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.95 -47.01 72.94 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -39.53 96.42 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.46 80.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 120.57 0.224 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.31 -41.49 78.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.954 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.256 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.43 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.528 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 26.8 t80 -67.93 -46.17 72.27 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.46 -46.74 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.9 OUTLIER -55.55 -19.66 10.7 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 9.55 5.44 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 62.6 138.64 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -65.49 -46.58 79.17 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.728 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -67.53 -37.49 82.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.594 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.96 -37.6 92.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.9 ttp -60.07 -52.28 66.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.604 0.24 . . . . 0.0 111.105 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -61.98 -43.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 0.0 110.437 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.96 -47.04 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.797 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.61 -24.81 71.3 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.28 -57.12 9.24 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.04 0.448 . . . . 0.0 110.484 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -65.56 -32.91 74.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 92.68 0.11 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.591 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.959 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.48 -48.75 79.7 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.203 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -65.37 -45.43 84.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -36.85 76.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.27 79.16 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.48 -43.84 90.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -67.33 -45.03 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.08 64.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.0 -41.37 74.44 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -73.19 -28.77 26.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 0.6 OUTLIER -92.42 -52.9 4.44 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -106.79 32.76 6.96 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.69 -146.13 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -54.41 -53.06 59.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -50.83 -39.01 52.26 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.89 -37.86 93.7 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 ttp -58.5 -45.77 88.05 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.02 -47.33 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 110.599 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -63.97 -39.84 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.12 -40.35 96.85 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -68.02 -36.85 80.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.475 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -80.32 -16.46 54.55 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.296 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.07 95.53 0.35 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.572 179.891 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.78 -41.88 97.88 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.338 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -60.55 -45.45 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.66 -44.14 97.14 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -55.81 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.62 -41.18 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.222 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.463 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -64.87 -47.06 79.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.496 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -63.79 -24.11 67.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -69.56 -41.27 76.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.174 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -87.2 -40.55 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' B' ' 7' ' ' ALA . 52.9 mp0 -96.75 -45.73 6.55 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.84 10.77 6.71 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 68.82 131.44 0.05 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -75.36 -32.76 60.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.964 0.411 . . . . 0.0 110.131 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 10.7 m -73.28 -38.85 65.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.778 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.81 90.24 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.93 -41.73 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.837 0.351 . . . . 0.0 110.498 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.73 -43.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.72 -39.73 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.57 -42.01 99.68 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.63 -44.8 92.84 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.369 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -68.89 -36.99 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.2 89.84 0.04 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.067 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.4 tp -57.26 -50.54 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.7 0.286 . . . . 0.0 110.534 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -62.13 -43.0 99.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.908 0.385 . . . . 0.0 110.659 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -37.02 89.17 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.73 91.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.609 0.242 . . . . 0.0 110.907 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -42.55 96.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 0.0 110.019 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -63.08 -46.16 88.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.33 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -69.78 -42.19 74.13 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -77.76 -32.94 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER -66.13 -26.21 67.34 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.219 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.26 -1.19 12.85 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.73 116.72 0.15 Allowed Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.496 -0.641 . . . . 0.0 111.496 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -59.71 -23.81 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.063 -0.569 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -82.4 -31.47 29.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.3 96.83 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.0 ttp -58.37 -44.44 88.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.289 . . . . 0.0 111.084 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.47 -45.1 98.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.73 -45.81 77.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.08 95.68 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -52.11 -53.03 47.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.986 0.422 . . . . 0.0 110.272 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.85 -35.29 76.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.73 84.09 1.49 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.218 -0.558 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.522 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.78 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.29 -47.07 85.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -65.52 -40.77 93.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.253 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 -39.03 91.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.07 96.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.52 -47.39 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.03 92.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -30.07 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.37 -39.8 88.53 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.919 0.39 . . . . 0.0 110.491 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -38.46 50.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.372 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -79.91 -54.64 5.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.26 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 34.06 5.93 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.18 -144.94 0.59 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -56.66 -34.97 67.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -41.45 97.74 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.45 86.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttp -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.523 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.58 -50.24 81.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.78 -44.77 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.47 -38.66 96.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -68.12 -41.12 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.741 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -73.34 -39.37 65.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.54 118.02 3.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.458 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.27 -45.93 89.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.271 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -51.92 -41.67 62.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.38 -50.79 61.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.21 66.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.326 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.05 -42.87 89.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -68.34 -28.63 67.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.449 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 57.1 mt -88.0 -48.84 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.87 -44.07 15.84 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.226 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -80.75 12.29 36.01 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.88 145.99 0.95 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' TRP . . . . . 0.502 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 56.1 p-90 -81.05 -34.01 33.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.008 0.432 . . . . 0.0 110.432 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.502 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 50.4 m -83.4 -16.69 44.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 -34.94 62.02 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttp -74.44 -40.53 61.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.62 -44.67 82.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.544 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.34 -38.16 85.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.31 38.94 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -55.64 -44.8 77.5 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 0.0 110.325 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' B' ' 24' ' ' SER . 6.7 m-85 -68.57 -43.32 76.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.48 88.76 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 22' ' ' TYR . 13.8 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 32.8 tp -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.622 0.249 . . . . 0.0 111.1 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -60.72 -46.36 90.7 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.718 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.76 92.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.7 87.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.615 0.245 . . . . 0.0 110.925 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.16 -47.61 91.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.952 0.406 . . . . 0.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.37 -44.13 92.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.33 -27.24 64.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.34 -39.66 92.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 68.5 mt -79.66 -40.61 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.179 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -58.47 -33.72 70.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.359 . . . . 0.0 110.42 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.28 6.82 2.11 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 76.24 98.19 0.15 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 14' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.1 OUTLIER -53.71 -26.16 21.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 179.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 15' ' ' THR . . . . . 0.569 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 4.1 m -82.26 -13.3 57.25 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.496 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.46 75.54 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 63.8 ttp -61.6 -42.5 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.67 0.271 . . . . 0.0 110.728 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.66 -49.09 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.61 -44.25 80.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.545 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.42 82.87 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.3 -54.4 47.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.832 0.349 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.4 -35.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.436 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.21 78.15 1.96 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.497 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp . . . . . 0 C--O 1.235 0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -66.46 -38.46 87.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.03 -38.17 88.3 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.19 93.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.714 0.292 . . . . 0.0 110.694 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.47 -45.03 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.06 -45.03 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.612 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.04 -27.67 66.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.85 -42.14 90.81 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.88 0.371 . . . . 0.0 110.547 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.09 -29.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -90.66 -51.28 5.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 32.04 7.41 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 42.16 -145.27 0.83 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -55.22 -50.45 69.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.668 0.27 . . . . 0.0 111.023 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -53.13 -39.52 63.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.564 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.07 -35.05 91.35 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.7 ttp -60.7 -45.71 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.677 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.1 -49.4 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -61.67 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.27 97.8 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -179.721 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 120.793 0.33 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -44.24 97.63 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -54.19 33.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.43 -42.92 96.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.554 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.77 96.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.522 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.43 -29.14 68.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.475 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.61 -46.66 84.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 N--CA 1.468 0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.741 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.745 0.307 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.36 95.6 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.36 88.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.74 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.45 -43.77 97.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -64.08 -45.28 89.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.85 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.54 -42.14 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.475 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.7 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.748 0.309 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -44.92 94.84 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.1 ttp -58.97 -47.17 86.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.639 0.257 . . . . 0.0 110.697 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -44.09 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.27 77.26 Favored Glycine 0 CA--C 1.519 0.282 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -59.34 -50.61 73.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.915 0.388 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 CA--C 1.53 0.195 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.527 179.599 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.8 tp . . . . . 0 N--CA 1.463 0.201 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -65.88 -43.54 88.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.327 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.65 82.79 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.96 -44.85 83.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.726 0.298 . . . . 0.0 110.67 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.45 -45.2 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.09 -45.34 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.85 69.9 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.18 -40.7 96.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.85 0.357 . . . . 0.0 110.281 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.14 -30.05 34.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.302 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 3.1 mp0 -92.06 -52.24 4.8 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -107.06 34.77 5.47 Favored Glycine 0 N--CA 1.482 1.704 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 39.46 -145.79 0.25 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.419 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.1 t-105 -53.84 -51.33 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.792 0.33 . . . . 0.0 111.041 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m -50.6 -37.21 38.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.51 -35.84 90.6 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -60.41 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.616 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 14' ' ' TRP . 83.0 mt -62.84 -51.71 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.747 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -61.3 -43.15 99.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.784 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.84 -39.17 97.14 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.554 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.724 0.297 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.69 -43.44 99.25 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.69 72.23 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.94 -43.27 97.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.04 92.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.22 -29.62 70.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.84 -45.94 90.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.08 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.76 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.957 0.408 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.69 -39.2 94.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.68 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.13 -44.54 98.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.433 . . . . 0.0 110.069 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -62.86 -41.41 99.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -26.27 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -68.9 -42.67 76.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.36 -40.62 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.956 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -42.1 77.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.54 -42.95 97.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 110.663 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.56 -47.82 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.872 0.367 . . . . 0.0 110.376 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.72 -47.94 78.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.37 -17.99 71.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -73.67 -43.31 59.74 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.725 0.297 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.03 -41.49 90.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.178 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -38.55 89.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.93 93.86 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.68 -45.77 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.99 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.495 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.43 67.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.73 -42.86 85.62 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.097 0.475 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.2 mt -75.46 -22.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -51.21 5.08 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.84 -2.58 34.43 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.021 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 -147.51 27.45 Favored Glycine 0 C--N 1.307 -1.062 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -52.58 -51.0 61.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.353 . . . . 0.0 110.928 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 m -54.56 -39.68 67.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.89 93.16 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.8 ttp -56.72 -48.35 77.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.16 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.91 -46.79 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -39.08 97.34 Favored Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -179.703 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 -43.44 98.04 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.2 74.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.818 0.342 . . . . 0.0 110.653 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.99 -43.15 97.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.82 77.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.355 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.37 -44.86 92.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.025 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.472 0.642 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.001 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.53 -37.71 89.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.11 84.77 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.701 0.286 . . . . 0.0 110.758 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.68 -42.66 95.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.949 0.405 . . . . 0.0 110.094 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -62.2 -45.54 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.87 -29.13 67.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.938 0.399 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.11 -42.51 89.1 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.5 mt -82.69 -37.76 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.768 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.631 0.253 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -43.56 87.49 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 62.5 ttp -56.74 -46.25 81.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.619 0.247 . . . . 0.0 110.775 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.8 -43.8 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.55 -49.46 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.12 84.78 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -52.56 -52.05 56.82 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.479 179.656 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -66.49 -48.55 69.48 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.16 -35.84 79.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.15 80.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.25 -44.24 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.434 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.58 -45.86 77.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.487 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -26.42 66.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -65.77 -41.13 92.43 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.972 0.415 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.91 -34.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.305 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 6.0 mp0 -88.36 -50.74 6.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.14 31.84 7.56 Favored Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.769 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.57 -144.2 0.54 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.461 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.4 t-105 -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -57.44 -40.78 79.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.817 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.97 -36.29 90.76 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.5 ttp -58.64 -46.94 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.47 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.461 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.8 mt -61.83 -49.59 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.0 -41.15 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.961 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.82 -40.92 99.84 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.153 0.501 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' B' ' 8' ' ' ALA . . . -65.24 -36.81 93.27 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.81 64.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.99 -45.05 80.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.34 63.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' B' ' 4' ' ' GLY . . . -57.2 -32.29 66.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.516 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.26 -51.15 65.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.414 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mt . . . . . 0 N--CA 1.475 0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.582 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.42 83.46 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.46 77.79 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.517 0.199 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.71 -41.0 88.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.3 62.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.25 77.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.774 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.77 -46.69 77.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.19 -44.45 80.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -41.51 90.11 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 42.9 ttp -61.24 -46.72 89.23 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.18 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.32 -45.11 84.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.45 -37.12 93.43 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -57.61 -52.49 65.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.89 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.474 179.402 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.2 tp . . . . . 0 CA--C 1.522 -0.114 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -64.66 -42.53 95.33 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.547 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.54 -35.64 86.34 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.11 91.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.77 -47.31 86.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.404 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -65.09 -44.16 89.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.41 72.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -64.47 -41.41 96.52 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 120.92 0.391 . . . . 0.0 110.664 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -73.27 -26.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.211 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 3.3 mp0 -94.13 -52.18 4.5 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.07 27.85 15.89 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.0 -145.86 2.12 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 18' ' ' ILE . 24.8 t-105 -55.82 -41.89 74.91 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -59.72 -39.67 85.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.89 89.1 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.21 -49.57 71.61 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.626 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 14' ' ' TRP . 72.8 mt -62.13 -51.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.478 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -57.19 -46.01 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.77 -39.52 97.53 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 110.46 -179.717 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.809 0.338 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.93 88.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.754 0.311 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.83 -45.37 97.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.45 80.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.59 81.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.94 -43.56 81.63 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.173 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.465 0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.851 0.358 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.49 -36.33 91.33 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.05 72.07 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.934 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.67 -43.13 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.938 0.399 . . . . 0.0 110.213 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.428 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -63.45 -43.51 97.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.561 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.33 -23.46 54.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -69.12 -44.35 72.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.96 -46.87 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.656 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.25 -42.95 90.21 Favored Glycine 0 C--N 1.334 0.419 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.8 ttp -58.57 -43.7 89.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.668 0.271 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.49 -42.7 87.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.51 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -57.48 -45.99 84.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.38 86.96 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -52.86 63.44 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.263 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.442 179.645 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 tp . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -63.21 -45.0 93.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.57 -32.18 83.3 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.57 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.39 -47.33 78.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.87 88.79 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.84 75.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 34.7 t80 -59.82 -38.95 83.43 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.41 -37.64 51.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.63 -49.91 9.32 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -110.56 32.25 6.75 Favored Glycine 0 N--CA 1.479 1.524 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.71 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.32 -144.65 0.67 Allowed Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -55.01 -40.78 70.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.362 . . . . 0.0 110.752 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -59.41 -40.2 85.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.642 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -36.85 89.51 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 ttp -54.68 -50.1 69.05 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.673 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.74 -50.17 81.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -45.67 85.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.772 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.58 99.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.751 0.31 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -42.1 99.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.83 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.2 -43.39 95.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.08 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.481 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.4 77.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.482 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -53.09 -49.28 66.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.133 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt . . . . . 0 CA--C 1.535 0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.805 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.85 -36.39 92.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.9 76.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.94 -39.45 85.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.48 97.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.88 78.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.83 -43.82 95.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.03 -42.3 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.658 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.792 0.329 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.5 76.06 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 40.1 ttp -57.85 -47.53 82.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.704 0.288 . . . . 0.0 111.078 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -45.74 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.764 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -52.87 -44.51 66.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -40.9 87.17 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -48.15 -58.77 4.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.122 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.659 0.266 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.32 -39.71 94.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.93 91.81 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.53 83.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.33 -44.46 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -64.52 -43.23 94.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.542 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.79 59.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 37.8 t80 -68.29 -41.11 81.45 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -79.01 -31.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.6 mp0 -81.94 -52.09 7.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.71 -11.43 30.66 Favored Glycine 0 N--CA 1.477 1.428 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 86.36 -147.04 21.27 Favored Glycine 0 N--CA 1.468 0.797 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.412 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -56.91 -40.05 75.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.769 0.319 . . . . 0.0 110.745 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.0 m -65.52 -42.67 91.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.5 -34.46 89.23 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.3 ttp -59.69 -45.91 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.95 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.797 0.332 . . . . 0.0 110.572 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -61.17 -36.72 80.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.682 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.19 -41.44 92.1 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 120.781 0.324 . . . . 0.0 110.684 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.709 0.29 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.22 -41.49 59.59 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.06 50.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.765 0.316 . . . . 0.0 110.945 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.19 -45.22 99.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.91 -46.79 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.44 -28.37 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.422 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -63.58 -51.85 63.55 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt . . . . . 0 CA--C 1.535 0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.056 -179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.91 0.386 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -35.04 91.48 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.85 -46.29 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.703 0.287 . . . . 0.0 110.738 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.67 -44.11 98.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.921 0.391 . . . . 0.0 110.01 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.89 98.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.29 73.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.564 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.46 -44.59 82.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 53.0 mt -70.24 -45.25 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.466 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.791 0.329 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.37 89.3 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 28.9 ttp -59.19 -48.88 79.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.68 0.276 . . . . 0.0 110.945 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.03 -48.02 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.869 0.366 . . . . 0.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.54 -48.86 76.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.59 81.28 Favored Glycine 0 C--O 1.23 -0.119 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -59.75 -51.21 70.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.981 0.42 . . . . 0.0 110.106 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.497 179.577 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp . . . . . 0 C--O 1.235 0.305 0 CA-C-O 120.798 0.333 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.54 -40.28 89.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.214 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.31 -38.13 84.88 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.82 92.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.34 -45.04 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.77 86.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 16' ' ' GLY . . . -69.1 -26.71 65.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.524 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -66.1 -41.15 91.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 120.968 0.413 . . . . 0.0 110.414 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.0 mt -74.12 -26.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.228 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.45 -53.99 3.7 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.18 27.92 15.52 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.46 -145.37 2.73 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.647 ' HE1' HD11 ' A' ' 18' ' ' ILE . 56.6 t-105 -53.28 -52.07 60.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -52.44 -41.54 63.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . -63.94 -38.73 96.49 Favored Glycine 0 C--N 1.314 -0.693 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.2 ttp -57.84 -46.48 84.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.616 0.246 . . . . 0.0 110.635 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 ' HE1' ' A' ' 14' ' ' TRP . 60.6 mt -60.75 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -60.24 -42.68 95.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.83 98.05 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.625 -179.759 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.792 0.329 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.93 98.37 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.401 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.58 -44.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.76 96.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.47 65.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -67.08 -39.17 86.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 CA--C 1.537 0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.648 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -35.17 91.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.64 95.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.735 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.36 -44.08 97.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.916 0.388 . . . . 0.0 110.158 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.75 83.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -28.56 65.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -66.39 -39.9 89.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.997 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.11 -41.81 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 120.943 0.402 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.26 -52.57 48.6 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.31 . . . . 0.0 110.726 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.77 -45.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.273 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -55.66 -47.85 76.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.458 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.2 -36.68 93.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -58.46 -54.9 41.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.927 0.394 . . . . 0.0 110.072 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 179.7 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -65.58 -44.7 85.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.414 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.01 69.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.68 83.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.1 -45.97 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.04 80.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.515 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 43.5 t80 -62.22 -40.32 95.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.38 -36.72 55.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -83.71 -53.36 5.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.585 0.231 . . . . 0.0 111.482 -178.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -105.33 34.84 5.48 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 37.56 -145.13 0.13 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.471 ' HE1' HD11 ' A' ' 18' ' ' ILE . 29.6 t-105 -54.02 -50.75 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -49.89 -37.9 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.753 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -37.59 90.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttp -54.11 -50.96 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HE1' ' A' ' 14' ' ' TRP . 81.8 mt -62.46 -53.38 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.3 -46.66 79.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.718 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.84 96.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.358 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.02 -46.71 92.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.57 67.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.714 0.292 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -41.76 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.69 -46.13 89.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.493 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.19 -37.05 81.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.33 -43.14 83.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.453 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.867 0.365 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -38.21 94.5 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.54 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -61.43 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.91 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.14 -41.26 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.97 -43.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.515 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.902 0.382 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.63 -41.73 64.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 54.2 ttp -59.28 -45.39 91.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.757 0.313 . . . . 0.0 110.549 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.71 -46.52 88.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.23 84.94 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.47 -54.29 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.875 0.369 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 120.745 0.307 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.476 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.67 -35.74 87.15 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.49 86.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.652 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.72 -45.49 87.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.26 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.69 67.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -66.15 -41.92 89.73 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.953 0.406 . . . . 0.0 110.669 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.08 -28.98 31.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -92.83 -52.39 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.51 29.82 10.42 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.65 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.82 -143.96 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.802 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -54.82 -52.44 62.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.724 0.297 . . . . 0.0 110.925 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 m -50.86 -38.42 49.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.695 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.66 85.79 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.4 ttp -55.96 -49.66 72.94 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' HE1' ' A' ' 14' ' ' TRP . 65.9 mt -62.49 -51.69 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.671 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -56.67 -45.62 81.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -38.49 96.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 -179.878 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.93 0.395 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.15 -40.56 93.86 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.09 97.16 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.638 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.72 -42.53 95.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.21 -48.48 75.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.43 -34.49 78.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -51.1 -50.78 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mt . . . . . 0 N--CA 1.464 0.251 0 CA-C-O 121.0 0.428 . . . . 0.0 110.96 -179.548 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 120.688 0.28 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -39.61 98.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.99 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.689 0.28 . . . . 0.0 110.741 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.64 -42.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.945 0.402 . . . . 0.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.31 87.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.77 57.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.58 -45.3 94.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.69 -52.61 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.678 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.901 0.382 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.99 96.35 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.9 ttp -59.53 -47.56 85.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.75 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.459 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.11 -45.84 89.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.26 -40.19 91.39 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -55.85 -53.75 52.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 N--CA 1.461 0.123 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -65.93 -44.3 85.52 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.55 -37.29 88.4 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.74 96.67 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 99.4 mt -67.45 -44.55 86.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.5 -44.74 81.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.486 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.87 68.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -63.33 -40.94 98.7 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.042 0.449 . . . . 0.0 110.55 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.84 -38.44 65.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.7 mp0 -83.09 -51.56 7.41 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.75 5.96 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.749 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.33 -145.6 0.38 Allowed Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.52 ' HE1' HD11 ' A' ' 18' ' ' ILE . 59.5 t-105 -53.04 -51.22 62.46 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.734 0.302 . . . . 0.0 110.992 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -50.57 -40.17 51.53 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.54 93.7 Favored Glycine 0 C--N 1.312 -0.762 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -57.79 -46.44 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.52 HD11 ' HE1' ' A' ' 14' ' ' TRP . 56.2 mt -61.51 -49.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.59 -42.98 97.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -39.67 98.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.957 0.408 . . . . 0.0 110.382 -179.725 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.29 -43.54 99.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.04 71.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.862 0.363 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.64 -43.01 87.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.13 95.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.577 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.04 68.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.464 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.36 -46.6 85.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.548 0.898 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.826 179.527 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.24 -34.76 90.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.1 91.54 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.67 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.21 -43.89 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.02 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -67.28 -45.78 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.02 94.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.667 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.17 -41.78 93.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.12 -43.55 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.464 0.274 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.513 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.987 0.422 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -44.17 93.75 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.7 ttp -63.25 -50.22 71.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.662 0.267 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.75 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.82 -47.72 83.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.43 -24.93 68.1 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -72.77 -58.2 3.52 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 CA--C 1.529 0.163 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.423 179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 120.826 0.346 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -66.18 -41.02 90.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.91 90.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.49 88.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.67 -44.12 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.31 -45.49 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.5 66.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.594 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 27.4 t80 -63.35 -40.59 97.69 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.95 -40.39 68.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.233 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.6 mp0 -81.41 -54.08 5.76 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -102.9 31.4 8.79 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 39.72 -146.61 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.428 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -53.11 -52.21 59.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -50.53 -38.16 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.74 -36.24 86.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.6 ttp -57.39 -49.03 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.557 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.428 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.9 mt -61.97 -48.34 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.503 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.76 -47.72 83.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.46 92.47 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.532 -179.843 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.62 -42.39 94.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.9 63.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.66 -43.1 98.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.947 0.403 . . . . 0.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.11 96.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.357 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.06 -22.81 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.523 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.4 -43.62 98.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.298 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 N--CA 1.467 0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.643 0.258 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.69 96.43 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.14 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.567 0.222 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.8 -42.97 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.923 0.392 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.19 99.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.63 71.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.11 -40.79 82.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.35 -44.95 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.333 -0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.685 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.02 -24.37 76.04 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 64.1 ttp -74.54 -47.81 30.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.38 -42.69 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -57.89 -51.78 68.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -33.39 87.13 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -62.55 -54.48 39.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.983 0.42 . . . . 0.0 110.263 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 CA--C 1.531 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.694 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 tp . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.679 0.276 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -66.77 -40.97 88.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.243 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -38.65 88.0 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.86 88.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.796 0.331 . . . . 0.0 110.603 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -45.14 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.67 88.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.582 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.4 71.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.41 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.467 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 50.4 t80 -60.63 -40.18 90.97 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.96 -38.08 63.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -54.5 4.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -104.2 30.79 9.52 Favored Glycine 0 N--CA 1.474 1.204 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.65 -146.56 0.54 Allowed Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.498 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.5 t-105 -53.63 -53.3 53.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -50.85 -37.01 40.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.39 -34.91 89.28 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.8 ttp -59.9 -46.64 88.69 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' HE1' ' A' ' 14' ' ' TRP . 77.7 mt -61.92 -50.18 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.544 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.49 -43.95 96.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.723 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.38 98.01 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 -179.787 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.878 0.371 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.05 99.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.97 9.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.62 -42.31 87.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.88 64.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.66 -26.26 68.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.2 -50.33 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.339 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 120.783 0.325 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.35 95.42 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.08 75.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.672 0.273 . . . . 0.0 110.814 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.45 -41.83 91.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.194 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.453 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.62 -47.48 78.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.61 -43.84 88.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.3 -46.18 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.453 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -39.14 97.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 29.7 ttp -57.96 -53.29 59.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.63 -40.1 78.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.398 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.56 -50.45 71.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -26.97 69.86 Favored Glycine 0 CA--C 1.513 -0.079 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -65.38 -53.91 36.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.951 0.405 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 179.634 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.703 0.287 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -64.82 -43.44 93.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -36.65 90.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.585 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.1 -45.61 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.38 86.09 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.58 63.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.444 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 32.8 t80 -66.97 -40.57 87.5 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.652 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.3 -19.66 13.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -96.46 -52.3 4.01 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.1 12.81 49.0 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 61.4 -145.98 48.46 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -55.37 -47.84 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.1 m -57.09 -40.29 76.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.743 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.7 91.79 Favored Glycine 0 C--N 1.309 -0.971 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.5 ttp -58.2 -46.85 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.56 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.0 -42.25 89.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.62 96.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.891 0.377 . . . . 0.0 110.619 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.978 0.418 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.01 95.73 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.09 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.705 0.288 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.49 -47.95 84.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.88 0.371 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.36 90.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.469 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.21 73.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -55.67 -44.51 77.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.226 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.466 0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.609 0.242 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.11 93.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.93 80.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.09 -43.22 98.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.64 97.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.17 -24.52 54.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.11 -43.79 86.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 -40.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -44.38 45.99 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 61.6 ttp -54.26 -48.46 71.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 110.81 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.55 -48.02 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.12 -44.76 83.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.08 -33.61 84.02 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -56.74 -56.26 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.773 0.321 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.276 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 tp . . . . . 0 C--O 1.235 0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.43 -40.07 85.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.219 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.74 76.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.76 77.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.685 0.278 . . . . 0.0 110.629 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.01 -44.15 85.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.85 -45.23 78.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.92 71.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.88 -41.06 97.42 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 120.941 0.4 . . . . 0.0 110.619 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.84 -39.74 78.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.4 mp0 -82.15 -51.02 8.39 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.51 35.42 4.98 Favored Glycine 0 N--CA 1.482 1.719 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.798 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.19 -144.76 0.19 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' HE1' HD11 ' A' ' 18' ' ' ILE . 52.9 t-105 -52.45 -52.76 52.45 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 m -49.24 -38.31 26.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.19 -36.68 93.15 Favored Glycine 0 C--N 1.312 -0.794 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 ttp -59.1 -47.44 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.743 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 14' ' ' TRP . 89.2 mt -62.42 -52.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.629 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.69 -41.78 91.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.794 0.33 . . . . 0.0 110.775 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.39 97.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.658 0.266 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -40.18 98.13 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.62 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.726 0.298 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.17 -43.02 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.2 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.89 -35.73 82.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.265 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.31 -40.54 71.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.784 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--O 1.235 0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 -34.41 89.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.84 94.89 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 110.769 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.06 -46.45 88.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.206 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -65.59 -48.01 73.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -25.17 68.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.09 -39.72 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.08 -41.49 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.332 -0.174 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.644 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.906 0.384 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -40.95 26.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.3 ttp -67.21 -50.69 59.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.819 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.64 -42.26 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.23 -43.71 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 -34.66 90.49 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.39 -53.6 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 179.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp . . . . . 0 C--O 1.239 0.504 0 CA-C-O 120.791 0.329 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.81 -41.03 92.37 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.86 -39.43 91.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.29 96.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 110.568 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.69 -44.89 89.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.95 -45.06 78.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -24.19 64.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.452 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 42.4 t80 -68.93 -40.25 79.13 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.72 -29.51 20.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -92.14 -56.23 3.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.37 28.76 14.52 Favored Glycine 0 N--CA 1.471 0.991 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 42.21 -146.97 0.62 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.4 t-105 -54.33 -52.68 60.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.728 0.299 . . . . 0.0 111.015 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -51.51 -38.81 55.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.792 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.04 -38.57 92.68 Favored Glycine 0 C--N 1.313 -0.711 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.77 -47.62 76.72 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.447 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.6 mt -61.77 -46.27 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -62.81 -45.03 94.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -39.27 97.39 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 -179.705 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.935 0.397 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.77 -48.65 76.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.53 -51.86 57.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 110.634 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.07 -48.26 86.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.5 91.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.55 80.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -54.15 -44.11 71.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.301 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.639 0.257 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.5 -41.59 76.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.82 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.638 0.256 . . . . 0.0 110.804 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.51 -43.41 86.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 120.893 0.378 . . . . 0.0 110.007 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.89 -47.03 79.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.84 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . 0.528 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 41.3 t80 -69.75 -43.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.57 -42.34 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.606 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.85 0.357 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.44 79.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . 0.528 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.7 ttp -58.6 -44.24 89.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.768 0.318 . . . . 0.0 110.784 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.93 -43.1 93.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.948 0.404 . . . . 0.0 110.739 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -58.46 -43.05 88.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -36.12 66.55 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.71 -56.83 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.134 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.702 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 CA--C 1.53 0.173 0 CA-C-O 120.821 0.343 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -65.88 -41.67 91.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.236 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.56 -38.21 86.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.55 -46.38 86.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.77 92.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.25 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.446 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 36.1 t80 -65.39 -41.24 93.89 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 120.885 0.374 . . . . 0.0 110.363 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.24 -29.89 22.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.58 -53.72 4.4 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.17 28.63 13.84 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 44.35 -146.25 1.65 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.513 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.0 t-105 -54.42 -50.33 67.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -53.51 -39.62 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.87 -36.34 92.01 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.78 -47.26 83.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.466 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 14' ' ' TRP . 66.4 mt -61.52 -48.82 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.25 -47.95 83.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.48 94.74 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.867 0.365 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -38.86 95.46 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.56 41.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -66.33 -36.14 76.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.31 -48.12 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.24 67.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.52 -46.67 46.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt . . . . . 0 N--CA 1.467 0.39 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.826 -179.88 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.855 0.36 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.64 -35.03 84.47 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.16 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.98 -44.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.02 77.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.417 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.759 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -66.1 -41.02 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.52 -41.9 49.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.725 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.673 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.79 92.97 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.49 -50.67 73.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.604 0.24 . . . . 0.0 111.15 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.93 -42.38 94.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.228 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.28 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.04 66.8 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.62 -48.58 38.38 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.929 0.395 . . . . 0.0 110.265 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 tp . . . . . 0 C--O 1.239 0.531 0 CA-C-O 120.625 0.25 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -65.27 -39.53 92.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.051 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.52 91.18 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.62 95.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.67 -45.37 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.09 87.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -68.79 -28.07 66.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.82 -40.88 92.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.26 -27.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -54.7 3.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -103.97 30.88 9.39 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.83 -148.16 0.43 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.525 ' HE1' HD11 ' A' ' 18' ' ' ILE . 21.5 t-105 -56.18 -38.97 71.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.682 0.277 . . . . 0.0 110.696 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 m -61.26 -36.22 79.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.62 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -70.54 -36.11 68.2 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -59.04 -45.8 89.85 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.17 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.525 HD11 ' HE1' ' A' ' 14' ' ' TRP . 53.5 mt -62.92 -51.11 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.61 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.94 -22.32 65.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.89 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.49 -40.47 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.699 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.804 0.335 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.45 57.48 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -53.64 47.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.77 0.319 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 88.5 mt -66.58 -43.15 90.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -45.5 92.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.97 65.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -59.38 -49.7 76.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.7 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.691 0.281 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -39.53 96.42 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.46 80.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 120.57 0.224 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.31 -41.49 78.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.954 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.256 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.43 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.528 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 26.8 t80 -67.93 -46.17 72.27 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.46 -46.74 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.824 0.345 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.96 -37.6 92.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.9 ttp -60.07 -52.28 66.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.604 0.24 . . . . 0.0 111.105 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -61.98 -43.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 0.0 110.437 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.96 -47.04 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.797 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.61 -24.81 71.3 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.28 -57.12 9.24 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.04 0.448 . . . . 0.0 110.484 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.884 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -65.37 -45.43 84.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -36.85 76.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.27 79.16 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.48 -43.84 90.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -67.33 -45.03 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.08 64.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.0 -41.37 74.44 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -73.19 -28.77 26.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 0.6 OUTLIER -92.42 -52.9 4.44 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -106.79 32.76 6.96 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.69 -146.13 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -54.41 -53.06 59.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -50.83 -39.01 52.26 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.89 -37.86 93.7 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 ttp -58.5 -45.77 88.05 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.02 -47.33 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 110.599 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -63.97 -39.84 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.12 -40.35 96.85 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.475 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.734 0.302 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.66 -44.14 97.14 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -55.81 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.62 -41.18 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.222 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -47.06 79.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.79 -24.11 67.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -69.56 -41.27 76.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.174 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -37.02 89.17 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.73 91.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.609 0.242 . . . . 0.0 110.907 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -42.55 96.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 0.0 110.019 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -63.08 -46.16 88.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.33 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -69.78 -42.19 74.13 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -77.76 -32.94 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.466 0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.467 0.405 0 CA-C-O 120.767 0.317 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.3 96.83 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.0 ttp -58.37 -44.44 88.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.289 . . . . 0.0 111.084 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.47 -45.1 98.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.73 -45.81 77.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.08 95.68 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -52.11 -53.03 47.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.986 0.422 . . . . 0.0 110.272 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.463 0.205 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.604 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.3 tp . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -65.52 -40.77 93.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.253 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 -39.03 91.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.07 96.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.52 -47.39 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.03 92.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -30.07 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.37 -39.8 88.53 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.919 0.39 . . . . 0.0 110.491 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -38.46 50.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.372 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -79.91 -54.64 5.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.26 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 34.06 5.93 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.18 -144.94 0.59 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -56.66 -34.97 67.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -41.45 97.74 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.45 86.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttp -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.523 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.58 -50.24 81.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.78 -44.77 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.47 -38.66 96.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.741 -179.622 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.855 0.36 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.38 -50.79 61.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.21 66.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.326 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.05 -42.87 89.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.34 -28.63 67.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 57.1 mt . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.853 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.76 92.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.7 87.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.615 0.245 . . . . 0.0 110.925 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.16 -47.61 91.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.952 0.406 . . . . 0.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.37 -44.13 92.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.33 -27.24 64.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.34 -39.66 92.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 68.5 mt -79.66 -40.61 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.179 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.359 . . . . 0.0 110.42 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.465 0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.46 75.54 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 63.8 ttp -61.6 -42.5 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.67 0.271 . . . . 0.0 110.728 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.66 -49.09 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.61 -44.25 80.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.545 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.42 82.87 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.3 -54.4 47.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.832 0.349 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.436 179.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.95 -58.4 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.762 0.315 . . . . 0.0 110.474 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -66.46 -38.46 87.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.03 -38.17 88.3 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.19 93.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.714 0.292 . . . . 0.0 110.694 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.47 -45.03 82.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.06 -45.03 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.612 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.04 -27.67 66.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.491 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -65.85 -42.14 90.81 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 120.88 0.371 . . . . 0.0 110.547 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.09 -29.29 32.09 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -90.66 -51.28 5.46 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.03 32.04 7.41 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 42.16 -145.27 0.83 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.7 t-105 -55.22 -50.45 69.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.668 0.27 . . . . 0.0 111.023 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -53.13 -39.52 63.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.564 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.07 -35.05 91.35 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.7 ttp -60.7 -45.71 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.677 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.1 -49.4 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.701 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -61.67 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.906 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.27 97.8 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -64.01 -43.75 94.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 0.0 110.64 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -86.79 -0.24 56.02 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.427 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.1 89.32 1.09 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.582 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.9 tp -49.18 -49.81 40.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.744 0.307 . . . . 0.0 110.607 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -55.46 -48.68 74.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -44.24 97.63 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -54.19 33.33 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.799 0.333 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.43 -42.92 96.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.554 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.77 96.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.522 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -67.43 -29.14 68.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.475 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.61 -46.66 84.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt -82.7 -57.52 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 13' ' ' GLY . 10.1 mp0 -75.97 -49.29 18.11 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.997 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.84 16.66 1.86 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 69.9 136.16 0.1 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.405 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 52.8 p-90 -80.35 -32.27 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.933 0.397 . . . . 0.0 110.187 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.405 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 23.6 m -82.94 -27.96 30.18 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.674 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.86 -46.42 83.57 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 18.8 ttp -62.81 -40.71 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.971 0.415 . . . . 0.0 110.453 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.49 -43.55 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -58.15 -38.41 76.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.369 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.36 -47.52 83.64 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -57.81 -42.15 83.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.768 0.318 . . . . 0.0 110.498 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -70.01 -38.72 76.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.76 88.16 0.37 Allowed Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.026 -0.987 . . . . 0.0 110.317 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 31.8 tp -62.53 -51.29 67.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.72 0.295 . . . . 0.0 110.805 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -60.44 -47.03 87.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.36 95.6 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.93 -46.36 88.13 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.74 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.45 -43.77 97.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -64.08 -45.28 89.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.85 71.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.587 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.41 -41.23 96.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.54 -42.14 72.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.475 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 1.0 OUTLIER -56.6 -25.8 53.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.7 -179.626 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.29 3.03 8.35 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 78.26 124.05 0.32 Allowed Glycine 0 N--CA 1.462 0.368 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -62.51 -27.45 69.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.309 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m -77.57 -20.38 54.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.705 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.26 -44.92 94.84 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.1 ttp -58.97 -47.17 86.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.639 0.257 . . . . 0.0 110.697 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 68.8 mt -64.46 -44.09 96.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.901 0.381 . . . . 0.0 110.546 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.27 77.26 Favored Glycine 0 CA--C 1.519 0.282 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -59.34 -50.61 73.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.915 0.388 . . . . 0.0 110.049 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -72.85 -40.29 65.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.527 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.25 53.52 1.46 Allowed Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.565 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.676 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.8 tp -64.67 -46.02 84.21 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -65.88 -43.54 88.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.327 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -37.65 82.79 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.96 -44.85 83.75 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.726 0.298 . . . . 0.0 110.67 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.45 -45.2 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.09 -45.34 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.85 69.9 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.543 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -64.18 -40.7 96.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-O 120.85 0.357 . . . . 0.0 110.281 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.9 mt -72.14 -30.05 34.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.302 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 3.1 mp0 -92.06 -52.24 4.8 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -107.06 34.77 5.47 Favored Glycine 0 N--CA 1.482 1.704 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 39.46 -145.79 0.25 Allowed Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.419 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.1 t-105 -53.84 -51.33 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.792 0.33 . . . . 0.0 111.041 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 m -50.6 -37.21 38.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.51 -35.84 90.6 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -60.41 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.616 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 14' ' ' TRP . 83.0 mt -62.84 -51.71 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.747 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -61.3 -43.15 99.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.784 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.84 -39.17 97.14 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -63.03 -45.0 94.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.554 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -69.09 -35.45 76.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -42.66 127.76 4.88 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.557 -179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.409 -1.477 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.8 -44.25 93.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.816 0.341 . . . . 0.0 110.268 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -63.34 -39.29 94.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.477 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.69 -43.44 99.25 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 -50.69 72.23 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.94 -43.27 97.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.431 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.04 92.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.474 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -65.22 -29.62 70.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.407 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -59.84 -45.94 90.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.08 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 40.5 mt -84.86 -56.93 4.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.76 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' B' ' 13' ' ' GLY . 1.4 mp0 -75.35 -48.5 22.75 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -74.29 11.8 6.25 Favored Glycine 0 N--CA 1.464 0.52 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 76.34 136.29 0.65 Allowed Glycine 0 CA--C 1.521 0.421 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.501 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 43.7 p-90 -80.66 -38.95 28.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.191 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.501 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 7.4 m -79.28 -25.76 42.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.79 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.21 -33.49 64.82 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 22.3 ttp -74.6 -36.48 62.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.859 0.361 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 91.4 mt -67.94 -42.39 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.056 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.407 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.82 -42.87 99.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.469 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.53 -49.85 74.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -57.49 -39.37 76.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.835 0.35 . . . . 0.0 110.449 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -77.77 -37.94 47.92 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.46 105.32 2.16 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.54 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 60.2 tp -52.85 -52.67 56.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -63.43 -44.37 94.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.663 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.69 -39.2 94.91 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.68 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.0 110.67 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.13 -44.54 98.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.433 . . . . 0.0 110.069 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -62.86 -41.41 99.36 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.277 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -26.27 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -68.9 -42.67 76.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mt -76.36 -40.62 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.956 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.9 OUTLIER -54.66 -25.62 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 -179.511 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.44 -0.89 25.99 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.96 113.57 0.61 Allowed Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -55.68 -35.56 66.16 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.31 -0.445 . . . . 0.0 110.935 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 29.0 m -74.74 -19.09 60.37 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -42.1 77.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 57.0 ttp -60.54 -42.95 97.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.656 0.265 . . . . 0.0 110.663 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.56 -47.82 91.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.872 0.367 . . . . 0.0 110.376 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.72 -47.94 78.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.37 -17.99 71.03 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -73.67 -43.31 59.74 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 110.169 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -80.4 -25.17 39.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.62 44.41 3.09 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 20.7 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.621 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 3.233 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.36 -45.54 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.725 0.297 . . . . 0.0 110.219 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.03 -41.49 90.86 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.178 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.87 -38.55 89.13 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -42.93 93.86 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.68 -45.77 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.99 89.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.495 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.38 -29.43 67.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.732 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.73 -42.86 85.62 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-O 121.097 0.475 . . . . 0.0 110.567 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.2 mt -75.46 -22.17 16.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.29 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.41 -51.21 5.08 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.84 -2.58 34.43 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.021 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.15 -147.51 27.45 Favored Glycine 0 C--N 1.307 -1.062 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -52.58 -51.0 61.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.84 0.353 . . . . 0.0 110.928 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.5 m -54.56 -39.68 67.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.44 -36.89 93.16 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 51.8 ttp -56.72 -48.35 77.94 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -62.16 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.91 -46.79 81.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.893 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.41 -39.08 97.34 Favored Glycine 0 C--N 1.331 0.26 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -61.52 -49.5 76.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.779 0.323 . . . . 0.0 110.371 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -70.45 -34.97 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.488 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.1 106.14 0.08 OUTLIER Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.59 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.516 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 37.2 tp -71.54 -41.35 69.24 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.37 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -64.64 -38.75 92.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.437 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 -43.44 98.04 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.2 74.93 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.818 0.342 . . . . 0.0 110.653 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.99 -43.15 97.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.82 77.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.56 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.449 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.355 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.37 -44.86 92.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.025 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 80.2 mt -87.86 -58.59 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.001 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -70.71 -46.24 63.45 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.759 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.32 4.96 23.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.8 111.61 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -62.03 -38.49 88.88 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.809 0.337 . . . . 0.0 111.033 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.9 m -66.7 -37.79 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 110.26 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.6 -31.33 67.99 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 23.8 ttp -68.54 -41.49 79.76 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.849 0.357 . . . . 0.0 110.587 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.7 mt -64.07 -42.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.62 -40.19 90.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.466 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.45 -46.54 94.16 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -56.36 -38.49 71.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -69.74 -41.89 74.67 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.95 87.53 0.47 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.551 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.75 -49.12 78.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.833 0.349 . . . . 0.0 110.571 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -62.24 -41.63 98.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.53 -37.71 89.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.11 84.77 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 120.701 0.286 . . . . 0.0 110.758 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 93.6 mt -64.68 -42.66 95.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 120.949 0.405 . . . . 0.0 110.094 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -62.2 -45.54 92.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.87 -29.13 67.37 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.938 0.399 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.11 -42.51 89.1 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.5 mt -82.69 -37.76 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.45 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.3 OUTLIER -66.02 -30.64 71.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.768 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.27 4.17 5.1 Favored Glycine 0 C--N 1.34 0.79 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 90.12 110.17 1.38 Allowed Glycine 0 N--CA 1.467 0.756 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.0 OUTLIER -61.41 -24.78 66.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 120.896 0.379 . . . . 0.0 110.368 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . 0.546 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 5.8 m -75.38 -15.91 60.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.783 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -43.56 87.49 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.641 -0.983 . . . . 0.0 110.641 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 62.5 ttp -56.74 -46.25 81.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.619 0.247 . . . . 0.0 110.775 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.8 -43.8 93.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 0.0 110.517 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -55.55 -49.46 72.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.12 84.78 Favored Glycine 0 N--CA 1.462 0.394 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -52.56 -52.05 56.82 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -75.3 -41.97 55.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.71 83.43 1.03 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.631 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.24 -45.63 72.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.58 0.69 . . . . 0.0 109.878 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -66.49 -48.55 69.48 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.436 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.16 -35.84 79.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.51 -45.15 80.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.347 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.0 mt -68.25 -44.24 84.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.434 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.58 -45.86 77.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.487 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -26.42 66.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -65.77 -41.13 92.43 Favored 'General case' 0 C--O 1.217 -0.613 0 CA-C-O 120.972 0.415 . . . . 0.0 110.507 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.9 mt -70.91 -34.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.305 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 6.0 mp0 -88.36 -50.74 6.14 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.14 31.84 7.56 Favored Glycine 0 N--CA 1.485 1.925 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.769 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.57 -144.2 0.54 Allowed Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.461 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.4 t-105 -56.43 -43.32 79.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.731 0.3 . . . . 0.0 111.062 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.0 m -57.44 -40.78 79.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.817 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.97 -36.29 90.76 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 61.5 ttp -58.64 -46.94 86.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.47 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.461 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.8 mt -61.83 -49.59 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.0 -41.15 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.961 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.82 -40.92 99.84 Favored Glycine 0 CA--C 1.518 0.24 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -62.14 -44.97 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -83.04 -0.55 49.48 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.38 81.82 0.7 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.577 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.3 tp -65.06 -46.92 79.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.686 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -56.72 -46.75 81.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.417 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' B' ' 8' ' ' ALA . . . -65.24 -36.81 93.27 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.05 -52.81 64.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 110.443 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.4 mt -68.99 -45.05 80.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.599 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.34 63.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.61 ' HA ' ' H ' ' B' ' 12' ' ' GLY . . . -57.2 -32.29 66.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.516 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.26 -51.15 65.47 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.414 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 42.7 mt -87.83 -43.75 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 13' ' ' GLY . 16.6 mp0 -81.25 -62.61 1.61 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.001 0.429 . . . . 0.0 110.581 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.61 ' H ' ' HA ' ' B' ' 8' ' ' ALA . . . -72.02 23.0 0.72 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 71.28 142.67 0.28 Allowed Glycine 0 CA--C 1.518 0.261 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.494 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 19.7 p-90 -80.42 -39.54 28.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.763 0.316 . . . . 0.0 110.548 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.494 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 8.6 m -75.36 -20.16 59.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.65 97.16 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 44.4 ttp -66.94 -38.98 87.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.974 0.416 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.02 -43.56 97.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.546 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.74 -43.06 94.4 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.328 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.08 94.37 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -64.22 -38.79 92.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.842 0.353 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -73.91 -41.07 62.63 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.454 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.77 87.88 0.11 Allowed Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.561 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -59.85 -47.41 85.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.737 0.303 . . . . 0.0 110.479 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -70.21 -37.55 75.08 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.343 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.42 83.46 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 110.341 -1.104 . . . . 0.0 110.341 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.46 77.79 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.517 0.199 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.71 -41.0 88.76 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.71 -45.3 62.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.293 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.25 77.42 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.774 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -65.77 -46.69 77.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.467 ' C ' ' H ' ' C' ' 12' ' ' GLY . 96.1 mt -69.19 -44.45 80.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER -59.77 -0.75 0.21 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.854 -179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' C' ' 10' ' ' ILE . . . -77.27 12.57 12.83 Favored Glycine 0 C--N 1.339 0.719 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.25 125.28 0.09 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -52.44 -37.37 56.69 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.852 0.358 . . . . 0.0 110.188 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 48.1 m -73.66 -22.16 60.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.676 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -41.51 90.11 Favored Glycine 0 CA--C 1.519 0.334 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 42.9 ttp -61.24 -46.72 89.23 Favored 'General case' 0 CA--C 1.528 0.102 0 CA-C-O 120.721 0.296 . . . . 0.0 110.927 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 62.9 mt -62.18 -44.58 99.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.529 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -57.32 -45.11 84.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.425 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.45 -37.12 93.43 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -57.61 -52.49 65.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 120.557 -0.457 . . . . 0.0 109.89 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -70.22 -39.86 74.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.474 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.29 41.25 2.9 Favored Glycine 0 N--CA 1.465 0.623 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 16.8 t . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.63 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.578 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 34.2 tp -59.62 -48.52 81.35 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 120.389 -0.525 . . . . 0.0 110.244 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -64.66 -42.53 95.33 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.547 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.54 -35.64 86.34 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.11 91.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.77 -47.31 86.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.404 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -65.09 -44.16 89.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.41 72.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -64.47 -41.41 96.52 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 120.92 0.391 . . . . 0.0 110.664 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -73.27 -26.88 23.08 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.211 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 3.3 mp0 -94.13 -52.18 4.5 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.07 27.85 15.89 Favored Glycine 0 N--CA 1.477 1.425 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.0 -145.86 2.12 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 18' ' ' ILE . 24.8 t-105 -55.82 -41.89 74.91 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.703 0.287 . . . . 0.0 110.793 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -59.72 -39.67 85.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.663 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.89 89.1 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -55.21 -49.57 71.61 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.626 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HE1' ' A' ' 14' ' ' TRP . 72.8 mt -62.13 -51.42 72.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.478 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -57.19 -46.01 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.869 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.77 -39.52 97.53 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -63.22 -46.95 84.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.794 0.33 . . . . 0.0 110.46 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -70.41 -31.1 68.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.389 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.59 96.73 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.486 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.48 -44.11 97.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.742 0.306 . . . . 0.0 110.492 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -64.68 -33.21 75.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.448 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.93 88.55 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.34 -52.16 66.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.754 0.311 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.83 -45.37 97.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.55 -48.45 80.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.575 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.513 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -60.46 -37.59 81.47 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.597 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -56.94 -43.56 81.63 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.173 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 83.3 mt -85.85 -57.75 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' B' ' 13' ' ' GLY . 16.0 mp0 -75.86 -46.87 28.0 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.27 10.05 5.07 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.65 118.13 0.01 OUTLIER Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -63.93 -39.03 93.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 0.0 110.569 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 6.9 m -70.97 -36.16 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.493 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.49 -37.5 93.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.81 -39.06 90.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 110.511 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.13 -44.55 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.53 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.55 -38.17 80.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.08 -42.24 99.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -60.71 -42.75 97.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.469 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -66.94 -40.01 87.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.522 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.32 95.68 0.02 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.3 t . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.55 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.25 -51.28 70.21 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.453 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -65.14 -41.03 95.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.469 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.49 -36.33 91.33 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.05 72.07 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 120.669 0.271 . . . . 0.0 110.934 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.67 -43.13 96.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.938 0.399 . . . . 0.0 110.213 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.428 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -63.45 -43.51 97.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.561 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.33 -23.46 54.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.925 0.393 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -69.12 -44.35 72.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.931 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 70.9 mt -78.96 -46.87 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.428 ' OE2' ' O ' ' C' ' 7' ' ' ALA . 0.4 OUTLIER -62.63 -25.18 67.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.656 -179.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.45 -0.96 26.46 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.96 122.84 0.54 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -62.49 -42.4 99.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.683 0.278 . . . . 0.0 110.436 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.7 m -65.47 -22.02 66.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.626 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.25 -42.95 90.21 Favored Glycine 0 C--N 1.334 0.419 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.8 ttp -58.57 -43.7 89.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.668 0.271 . . . . 0.0 110.696 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -67.49 -42.7 87.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.51 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -57.48 -45.99 84.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.38 86.96 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -52.86 63.44 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.908 0.385 . . . . 0.0 110.263 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -67.82 -38.24 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.442 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.23 57.52 4.64 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.527 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.54 -48.79 76.53 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.221 -0.592 . . . . 0.0 109.86 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -63.21 -45.0 93.72 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.57 -32.18 83.3 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.57 90.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 110.732 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.39 -47.33 78.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.87 88.79 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.58 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.84 75.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 34.7 t80 -59.82 -38.95 83.43 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-O 120.996 0.427 . . . . 0.0 110.206 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.41 -37.64 51.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.538 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.63 -49.91 9.32 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -110.56 32.25 6.75 Favored Glycine 0 N--CA 1.479 1.524 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.71 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.32 -144.65 0.67 Allowed Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -55.01 -40.78 70.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.362 . . . . 0.0 110.752 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -59.41 -40.2 85.93 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.642 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -36.85 89.51 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.7 ttp -54.68 -50.1 69.05 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.673 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.5 mt -61.74 -50.17 81.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.7 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -45.67 85.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.772 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.08 -40.58 99.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -61.34 -40.82 95.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 24' ' ' SER . 12.2 m-85 -79.05 -38.22 37.0 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.679 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -37.52 93.95 0.01 OUTLIER Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.9 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.584 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.454 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.03 -46.08 89.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.688 0.28 . . . . 0.0 110.537 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -60.69 -41.39 95.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.484 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -42.1 99.73 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.83 66.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.837 0.351 . . . . 0.0 110.731 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.2 -43.39 95.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.628 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.08 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.481 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -63.84 -34.4 77.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.482 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' TRP . 17.0 t80 -53.09 -49.28 66.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.133 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.68 -58.35 3.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.924 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 13' ' ' GLY . 23.4 mp0 -69.34 -51.19 39.4 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.803 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -72.26 15.32 2.0 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 59.22 116.52 0.01 OUTLIER Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' B' ' 9' ' ' PHE . 39.3 p-90 -59.14 -31.05 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.919 0.39 . . . . 0.0 110.418 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.5 m -79.66 -25.4 41.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.73 -42.76 92.99 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 11.5 ttp -60.59 -39.45 88.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.432 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -64.67 -43.16 96.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.624 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -63.12 -38.1 89.82 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -51.42 56.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -53.76 -44.62 70.16 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.838 0.351 . . . . 0.0 110.634 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -69.02 -42.6 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.39 95.3 0.01 OUTLIER Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.486 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 37.4 tp -60.83 -53.04 62.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.763 0.316 . . . . 0.0 110.475 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -63.24 -33.33 75.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.85 -36.39 92.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.9 76.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 56.8 mt -62.94 -39.45 85.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.48 97.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.88 78.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.547 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -63.83 -43.82 95.08 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 62.0 mt -74.03 -42.3 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.658 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -52.8 -26.66 15.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.663 -179.69 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.29 -0.45 22.35 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.64 139.77 0.8 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 49.8 t-105 -74.37 -36.93 63.59 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.707 0.289 . . . . 0.0 110.847 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 23.8 m -70.41 -23.06 62.68 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.574 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.16 -44.5 76.06 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 40.1 ttp -57.85 -47.53 82.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.704 0.288 . . . . 0.0 111.078 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.16 -45.74 89.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.764 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -52.87 -44.51 66.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.29 -40.9 87.17 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -48.15 -58.77 4.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.122 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -64.69 -30.33 71.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.496 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.73 91.23 1.67 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 27.1 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.522 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.1 tp -62.65 -52.38 63.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.349 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.32 -39.71 94.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.192 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.5 -35.93 91.81 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.53 83.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.33 -44.46 80.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.447 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -64.52 -43.23 94.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.542 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.79 59.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.52 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.536 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 37.8 t80 -68.29 -41.11 81.45 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.7 mt -79.01 -31.48 14.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.517 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.6 mp0 -81.94 -52.09 7.41 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.71 -11.43 30.66 Favored Glycine 0 N--CA 1.477 1.428 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 86.36 -147.04 21.27 Favored Glycine 0 N--CA 1.468 0.797 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.412 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 17.9 t-105 -56.91 -40.05 75.59 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 120.769 0.319 . . . . 0.0 110.745 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.0 m -65.52 -42.67 91.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.5 -34.46 89.23 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.3 ttp -59.69 -45.91 90.67 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.95 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.797 0.332 . . . . 0.0 110.572 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -61.17 -36.72 80.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.682 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.19 -41.44 92.1 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -69.87 -35.5 74.74 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.781 0.324 . . . . 0.0 110.684 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -77.13 -39.79 47.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.555 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.66 108.0 0.46 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.538 0.493 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.515 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.26 -44.33 92.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.816 0.341 . . . . 0.0 110.441 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -68.8 -38.05 79.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.5 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.22 -41.49 59.59 Favored Glycine 0 C--O 1.221 -0.688 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.29 -54.06 50.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.765 0.316 . . . . 0.0 110.945 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.19 -45.22 99.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.674 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -67.91 -46.79 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.493 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -61.44 -28.37 69.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.422 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -63.58 -51.85 63.55 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt -77.12 -53.72 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' B' ' 13' ' ' GLY . 24.6 mp0 -80.22 -51.46 8.92 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.344 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.493 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -72.46 18.45 1.28 Allowed Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 64.61 138.53 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -79.99 -32.02 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.33 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 4.8 m -82.18 -25.53 34.2 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.39 -43.36 99.17 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.7 ttp -65.81 -44.24 86.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.6 mt -58.87 -44.51 90.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.86 -43.67 98.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.271 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.45 -39.79 93.44 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -70.2 -40.77 74.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -38.36 77.55 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.34 96.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.569 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' C' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 tp -52.05 -57.03 10.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.806 0.336 . . . . 0.0 110.616 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -62.07 -46.76 87.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.633 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.15 -35.04 91.48 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' C' ' 1' ' ' GLY . . . -66.85 -46.29 75.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.703 0.287 . . . . 0.0 110.738 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.67 -44.11 98.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 120.921 0.391 . . . . 0.0 110.01 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.89 98.7 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.204 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -33.29 73.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.564 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -66.46 -44.59 82.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.429 ' C ' ' N ' ' C' ' 12' ' ' GLY . 53.0 mt -70.24 -45.25 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.2 OUTLIER -49.64 -15.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.466 -179.667 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' C' ' 10' ' ' ILE . . . -70.89 4.46 9.97 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.97 126.7 0.13 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -61.59 -36.04 79.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.713 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -73.39 -22.72 60.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.643 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.84 -44.37 89.3 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 28.9 ttp -59.19 -48.88 79.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.68 0.276 . . . . 0.0 110.945 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 28.9 mt -60.03 -48.02 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.869 0.366 . . . . 0.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.54 -48.86 76.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.59 81.28 Favored Glycine 0 C--O 1.23 -0.119 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -59.75 -51.21 70.71 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.981 0.42 . . . . 0.0 110.106 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . 0.445 ' C ' ' H ' ' C' ' 24' ' ' SER . 53.8 m-85 -68.89 -39.62 79.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.497 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.93 39.73 0.8 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.445 ' H ' ' C ' ' C' ' 22' ' ' TYR . 27.8 t . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.555 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.579 0 N-CA-C 109.36 -1.496 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 32.0 tp -60.81 -54.07 49.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.798 0.333 . . . . 0.0 110.195 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -66.54 -40.28 89.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.214 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.31 -38.13 84.88 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.82 92.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 110.798 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.34 -45.04 90.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.441 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.77 86.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.443 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 16' ' ' GLY . . . -69.1 -26.71 65.06 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.524 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -66.1 -41.15 91.01 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 120.968 0.413 . . . . 0.0 110.414 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.0 mt -74.12 -26.6 21.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.228 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.45 -53.99 3.7 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.18 27.92 15.52 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 45.46 -145.37 2.73 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.647 ' HE1' HD11 ' A' ' 18' ' ' ILE . 56.6 t-105 -53.28 -52.07 60.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 m -52.44 -41.54 63.35 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.419 ' O ' ' HB1' ' A' ' 8' ' ' ALA . . . -63.94 -38.73 96.49 Favored Glycine 0 C--N 1.314 -0.693 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.2 ttp -57.84 -46.48 84.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.616 0.246 . . . . 0.0 110.635 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 ' HE1' ' A' ' 14' ' ' TRP . 60.6 mt -60.75 -48.83 87.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -60.24 -42.68 95.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.56 -39.83 98.05 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -64.41 -43.88 92.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.625 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -63.12 -29.93 71.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.447 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -50.47 129.73 29.39 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.47 0.544 0 CA-C-O 118.087 -0.958 . . . . 0.0 110.484 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.37 -34.27 47.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.773 0.321 . . . . 0.0 110.421 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -59.75 -43.09 94.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -43.93 98.37 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 110.789 -0.925 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.93 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.794 0.331 . . . . 0.0 110.401 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.58 -44.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.552 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.76 96.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.594 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -68.43 -26.47 65.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -67.08 -39.17 86.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.937 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -84.59 -49.43 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -78.09 -46.5 20.59 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.916 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -78.15 16.76 6.86 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.83 142.63 0.06 OUTLIER Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 19.4 p-90 -79.73 -40.56 28.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.343 . . . . 0.0 110.637 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 2.6 m -76.98 -18.24 58.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.85 -50.78 22.46 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 23.8 ttp -65.39 -40.48 93.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.786 0.327 . . . . 0.0 110.542 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.39 -43.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.28 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -59.83 -42.84 94.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.422 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.63 -41.74 97.5 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 7.3 t-105 -60.62 -46.84 88.77 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.864 0.364 . . . . 0.0 110.624 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -67.24 -35.78 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.31 89.21 0.34 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.222 -0.372 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.555 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 31.6 tp -56.71 -57.14 13.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.845 0.355 . . . . 0.0 110.489 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -64.39 -41.64 96.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.531 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.24 -35.17 91.63 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -43.64 95.36 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.735 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.36 -44.08 97.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.916 0.388 . . . . 0.0 110.158 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.77 -43.75 83.2 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.23 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -28.56 65.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.577 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -66.39 -39.9 89.32 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.997 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.11 -41.81 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.442 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.7 OUTLIER -52.6 -40.34 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.569 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.5 6.29 4.73 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 68.99 99.24 0.04 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.575 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.6 OUTLIER -57.49 -25.94 60.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.406 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . 0.575 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 2.9 m -81.25 -25.15 36.83 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.378 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.26 -52.57 48.6 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 56.9 ttp -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.31 . . . . 0.0 110.726 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.77 -45.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.273 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -55.66 -47.85 76.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.458 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.2 -36.68 93.54 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -58.46 -54.9 41.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.927 0.394 . . . . 0.0 110.072 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -63.76 -37.74 88.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.311 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.28 92.45 0.41 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.443 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.608 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.1 tp -51.87 -55.59 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.821 0.343 . . . . 0.0 110.688 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -65.58 -44.7 85.87 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.414 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -38.01 69.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.68 83.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 0.0 110.544 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.1 -45.97 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.04 80.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.537 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.515 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 43.5 t80 -62.22 -40.32 95.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.858 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -72.38 -36.72 55.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.711 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -83.71 -53.36 5.69 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.585 0.231 . . . . 0.0 111.482 -178.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.519 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -105.33 34.84 5.48 Favored Glycine 0 C--N 1.332 0.312 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.515 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 37.56 -145.13 0.13 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.471 ' HE1' HD11 ' A' ' 18' ' ' ILE . 29.6 t-105 -54.02 -50.75 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -49.89 -37.9 33.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.753 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.45 -37.59 90.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.2 ttp -54.11 -50.96 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.68 0.276 . . . . 0.0 110.693 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD11 ' HE1' ' A' ' 14' ' ' TRP . 81.8 mt -62.46 -53.38 48.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.752 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.3 -46.66 79.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.718 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.84 96.21 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -61.16 -45.91 92.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -72.54 -35.18 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.494 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.03 104.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.447 -179.863 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.35 -46.01 91.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.689 0.281 . . . . 0.0 110.602 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -60.98 -45.3 95.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.453 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.02 -46.71 92.25 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.57 67.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.714 0.292 . . . . 0.0 110.54 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -41.76 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.48 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.441 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.69 -46.13 89.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.493 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.527 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -61.19 -37.05 81.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.33 -43.14 83.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.453 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.51 -57.41 4.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.621 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 13' ' ' GLY . 21.7 mp0 -75.62 -49.83 17.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.795 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.37 25.77 0.87 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.02 132.76 0.01 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.509 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 61.9 p-90 -79.64 -36.66 37.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 0.0 110.567 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.509 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 15.7 m -77.26 -25.17 51.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.575 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.54 -34.81 79.84 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 1.9 ttp -68.86 -39.0 80.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 110.685 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.59 -43.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.442 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.45 -40.78 95.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.495 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.03 -46.06 94.26 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 17.4 t-105 -64.12 -46.05 85.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.811 0.338 . . . . 0.0 110.572 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -67.23 -34.53 77.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.555 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.06 105.56 1.72 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.479 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 39.7 tp -72.95 -56.13 5.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.833 0.349 . . . . 0.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -63.53 -42.15 98.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.467 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.49 -38.21 94.5 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.97 -46.54 81.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.518 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.1 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -61.43 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -32.91 73.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -66.14 -41.26 90.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.647 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 57.7 mt -75.97 -43.68 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.641 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.3 OUTLIER -53.5 -24.93 14.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.515 -179.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.09 7.87 2.97 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.1 132.88 0.19 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -67.84 -44.45 77.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.522 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -65.1 -22.01 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.585 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.63 -41.73 64.31 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 54.2 ttp -59.28 -45.39 91.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.757 0.313 . . . . 0.0 110.549 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.71 -46.52 88.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.552 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.0 -33.23 84.94 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -56.47 -54.29 47.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.875 0.369 . . . . 0.0 110.571 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -66.43 -37.08 84.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.456 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.18 103.48 0.73 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.573 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.25 -46.63 85.98 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.218 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -64.0 -46.11 86.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.476 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.67 -35.74 87.15 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.61 -44.49 86.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.652 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.2 mt -66.72 -45.49 87.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.72 -45.26 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.671 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.69 67.28 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.568 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -66.15 -41.92 89.73 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 120.953 0.406 . . . . 0.0 110.669 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.0 mt -72.08 -28.98 31.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -92.83 -52.39 4.63 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.51 29.82 10.42 Favored Glycine 0 N--CA 1.474 1.189 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.65 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.82 -143.96 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.802 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -54.82 -52.44 62.7 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.724 0.297 . . . . 0.0 110.925 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 m -50.86 -38.42 49.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.695 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.48 -37.66 85.79 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.4 ttp -55.96 -49.66 72.94 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.802 HD11 ' HE1' ' A' ' 14' ' ' TRP . 65.9 mt -62.49 -51.69 69.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.671 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -56.67 -45.62 81.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.768 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.5 -38.49 96.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -62.62 -46.77 86.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.606 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' O ' ' N ' ' A' ' 24' ' ' SER . 27.2 m-85 -76.49 -34.58 58.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.59 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.12 88.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.54 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.1 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.65 -50.35 74.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.857 0.36 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -61.96 -44.93 95.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.15 -40.56 93.86 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.09 97.16 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.638 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -64.72 -42.53 95.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.412 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.412 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -64.21 -48.48 75.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -64.43 -34.49 78.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' TRP . 45.0 t80 -51.1 -50.78 58.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mt -82.43 -59.04 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.0 0.428 . . . . 0.0 110.96 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' B' ' 13' ' ' GLY . 26.0 mp0 -71.96 -51.94 19.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.891 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -71.03 12.37 2.24 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 72.6 126.28 0.09 OUTLIER Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' B' ' 9' ' ' PHE . 58.4 p-90 -68.91 -26.71 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.875 0.369 . . . . 0.0 110.386 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 66.2 m -82.59 -15.76 51.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.68 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.71 -52.6 51.47 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 10.5 ttp -56.92 -39.92 75.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.451 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.65 -45.3 99.16 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.461 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -55.19 -41.62 72.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.3 94.93 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -62.88 -45.58 91.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.897 0.38 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -74.25 -11.1 60.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.439 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.92 74.61 0.47 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.561 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.462 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 tp -54.98 -50.22 69.49 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.4 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -64.95 -38.93 92.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.452 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.84 -39.61 98.21 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.99 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.689 0.28 . . . . 0.0 110.741 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.64 -42.86 97.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.945 0.402 . . . . 0.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.31 87.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.525 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.77 57.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.58 -45.3 94.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.613 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.69 -52.61 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.678 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -16.37 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.677 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.63 -1.78 54.18 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.85 146.6 4.88 Favored Glycine 0 N--CA 1.465 0.603 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -77.56 -32.22 53.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.752 0.31 . . . . 0.0 110.629 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m -78.14 -17.95 56.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.99 96.35 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 46.9 ttp -59.53 -47.56 85.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.618 0.247 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.75 -46.47 96.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.459 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -59.11 -45.84 89.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.26 -40.19 91.39 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -55.85 -53.75 52.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -65.21 -28.97 69.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.75 73.4 1.21 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.636 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.094 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.45 -43.24 99.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -65.93 -44.3 85.52 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.55 -37.29 88.4 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -41.74 96.67 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.677 0.275 . . . . 0.0 110.936 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 99.4 mt -67.45 -44.55 86.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.5 -44.74 81.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.486 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.87 68.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.551 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -63.33 -40.94 98.7 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 121.042 0.449 . . . . 0.0 110.55 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.84 -38.44 65.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 2.7 mp0 -83.09 -51.56 7.41 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.75 5.96 Favored Glycine 0 N--CA 1.492 2.377 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.749 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.33 -145.6 0.38 Allowed Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.52 ' HE1' HD11 ' A' ' 18' ' ' ILE . 59.5 t-105 -53.04 -51.22 62.46 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 120.734 0.302 . . . . 0.0 110.992 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -50.57 -40.17 51.53 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.049 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.62 -37.54 93.7 Favored Glycine 0 C--N 1.312 -0.762 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.6 ttp -57.79 -46.44 84.63 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.372 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.52 HD11 ' HE1' ' A' ' 14' ' ' TRP . 56.2 mt -61.51 -49.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.577 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -60.59 -42.98 97.84 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.79 -39.67 98.26 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.3 t-105 -60.26 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.957 0.408 . . . . 0.0 110.382 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -66.77 -34.68 78.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -40.41 106.8 0.07 OUTLIER Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.575 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.2 -34.3 76.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -60.96 -41.78 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.482 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.29 -43.54 99.24 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.44 -51.04 71.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.862 0.363 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -67.64 -43.01 87.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.672 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.13 95.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.577 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -65.7 -27.04 68.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.464 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -63.36 -46.6 85.79 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.29 -54.28 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.826 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 16.8 mp0 -74.08 -48.29 30.71 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.971 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -78.1 19.08 4.67 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 65.81 146.75 0.06 OUTLIER Glycine 0 CA--C 1.518 0.258 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.522 ' CZ3' ' OG1' ' B' ' 15' ' ' THR . 19.9 p-90 -80.9 -48.13 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.39 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.522 ' OG1' ' CZ3' ' B' ' 14' ' ' TRP . 90.5 m -68.55 -30.42 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.006 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.05 -43.38 97.01 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttp -65.73 -44.61 85.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.688 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.58 -41.72 93.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.362 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -61.15 -44.31 97.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.386 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.72 -41.28 95.77 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 22.8 t-105 -63.62 -47.1 82.78 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.549 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' B' ' 24' ' ' SER . 11.2 m-85 -67.97 -42.57 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.75 79.64 0.02 OUTLIER Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 22' ' ' TYR . 14.9 t . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.85 -56.29 23.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.769 0.319 . . . . 0.0 110.57 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -63.25 -43.08 99.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.74 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.24 -34.76 90.82 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -44.1 91.54 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.67 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.21 -43.89 97.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.906 0.384 . . . . 0.0 110.02 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.413 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -67.28 -45.78 75.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.02 94.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.35 . . . . 0.0 110.667 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.17 -41.78 93.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -74.12 -43.55 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.059 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.4 OUTLIER -52.1 -37.06 52.87 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.513 -179.51 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.85 7.54 2.21 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 73.06 102.43 0.07 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' C' ' 15' ' ' THR . 1.0 OUTLIER -61.32 -34.8 75.84 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 120.866 0.365 . . . . 0.0 110.614 179.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 4.0 m -67.42 -21.93 65.55 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.358 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.39 -44.17 93.75 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.7 ttp -63.25 -50.22 71.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.662 0.267 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.75 -43.31 97.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -58.82 -47.72 83.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.629 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.43 -24.93 68.1 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -72.77 -58.2 3.52 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.776 0.322 . . . . 0.0 110.453 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.89 -12.12 52.12 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.423 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.62 96.26 2.16 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.499 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.497 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.03 -54.43 18.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.379 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -66.18 -41.02 90.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.91 90.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.49 88.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.67 -44.12 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.666 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.31 -45.49 80.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.375 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.5 66.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.594 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.475 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 27.4 t80 -63.35 -40.59 97.69 Favored 'General case' 0 C--O 1.208 -1.115 0 CA-C-O 120.886 0.374 . . . . 0.0 110.395 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.3 mt -71.95 -40.39 68.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.233 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.6 mp0 -81.41 -54.08 5.76 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -102.9 31.4 8.79 Favored Glycine 0 N--CA 1.473 1.161 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 39.72 -146.61 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.428 ' HE1' HD11 ' A' ' 18' ' ' ILE . 28.3 t-105 -53.11 -52.21 59.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.833 0.349 . . . . 0.0 110.701 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -50.53 -38.16 43.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.789 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -67.74 -36.24 86.98 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.6 ttp -57.39 -49.03 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.557 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.428 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.9 mt -61.97 -48.34 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.503 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -58.76 -47.72 83.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.77 -37.46 92.47 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -61.18 -49.09 78.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.532 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -70.34 -34.7 72.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -41.79 109.86 0.2 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.429 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.1 tp -67.3 -48.12 68.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.759 0.314 . . . . 0.0 110.62 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.4 -42.61 96.31 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.62 -42.39 94.14 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.9 63.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.764 0.316 . . . . 0.0 110.683 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.66 -43.1 98.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 120.947 0.403 . . . . 0.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.65 -40.11 96.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.357 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.482 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -75.06 -22.81 58.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.523 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -62.4 -43.62 98.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.298 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 58.3 mt -87.08 -54.59 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 13' ' ' GLY . 30.3 mp0 -79.87 -47.79 14.52 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.832 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -71.69 18.11 1.1 Allowed Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.069 -0.813 . . . . 0.0 111.069 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.502 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 57.03 118.91 0.01 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.424 ' CE2' ' OG1' ' B' ' 15' ' ' THR . 56.7 p-90 -71.76 -33.04 68.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.876 0.369 . . . . 0.0 110.454 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.424 ' OG1' ' CE2' ' B' ' 14' ' ' TRP . 4.4 m -78.02 -29.51 49.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.14 -34.6 88.72 Favored Glycine 0 CA--C 1.52 0.352 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 29.3 ttp -69.27 -37.3 77.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.594 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.8 -43.5 98.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -61.04 -45.72 93.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.994 0.426 . . . . 0.0 110.5 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.35 -37.29 87.09 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -65.82 -44.1 86.62 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.872 0.368 . . . . 0.0 110.599 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.36 -15.75 62.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.94 106.11 3.11 Favored Glycine 0 N--CA 1.466 0.681 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.447 179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 49.1 tp -57.86 -49.46 76.6 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.328 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -63.88 -40.83 97.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.583 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.69 96.43 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.14 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.567 0.222 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.8 -42.97 97.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.923 0.392 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.19 99.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.491 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -30.63 71.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.11 -40.79 82.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.699 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 84.0 mt -74.35 -44.95 47.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -70.6 2.58 3.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.508 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.01 2.56 84.13 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.07 129.08 0.6 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -71.31 -42.84 68.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.617 0.246 . . . . 0.0 110.617 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m -65.34 -18.46 65.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.838 0.351 . . . . 0.0 110.446 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.02 -24.37 76.04 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 64.1 ttp -74.54 -47.81 30.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 0.0 110.736 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -66.38 -42.69 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -57.89 -51.78 68.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -33.39 87.13 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -62.55 -54.48 39.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.983 0.42 . . . . 0.0 110.263 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . 0.424 ' C ' ' H ' ' C' ' 24' ' ' SER . 21.4 m-85 -73.83 -39.56 63.95 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.501 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.17 41.8 1.13 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.424 ' H ' ' C ' ' C' ' 22' ' ' TYR . 46.5 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.554 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.639 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 tp -60.86 -53.88 51.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.312 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -66.77 -40.97 88.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.243 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.4 -38.65 88.0 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.86 88.69 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 120.796 0.331 . . . . 0.0 110.603 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.1 mt -68.65 -45.14 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.59 -43.67 88.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.582 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.48 -31.4 71.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.41 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 50.4 t80 -60.63 -40.18 90.97 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.511 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.96 -38.08 63.15 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.07 -54.5 4.8 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -104.2 30.79 9.52 Favored Glycine 0 N--CA 1.474 1.204 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 41.65 -146.56 0.54 Allowed Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.498 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.5 t-105 -53.63 -53.3 53.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.763 0.316 . . . . 0.0 110.962 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.5 m -50.85 -37.01 40.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -66.39 -34.91 89.28 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.8 ttp -59.9 -46.64 88.69 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.666 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.498 HD11 ' HE1' ' A' ' 14' ' ' TRP . 77.7 mt -61.92 -50.18 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.544 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.49 -43.95 96.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.723 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.38 98.01 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.1 t-105 -68.25 -41.51 81.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.782 0.325 . . . . 0.0 110.743 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -70.57 -35.92 73.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.558 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.76 106.13 0.35 Allowed Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.514 179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 16.7 tp -50.92 -54.36 24.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.814 0.34 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -53.39 -49.16 67.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.17 -42.05 99.67 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.94 -57.97 9.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.62 -42.31 87.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.559 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.22 -51.88 64.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.493 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.66 -26.26 68.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -63.2 -50.33 70.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.339 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 82.4 mt -81.04 -53.99 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 13' ' ' GLY . 1.9 mp0 -77.41 -52.42 9.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.573 ' O ' ' O ' ' B' ' 13' ' ' GLY . . . -72.29 26.1 0.7 Allowed Glycine 0 CA--C 1.518 0.281 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.573 ' O ' ' O ' ' B' ' 12' ' ' GLY . . . 53.03 121.94 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 51.2 p-90 -67.11 -38.44 85.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.824 0.345 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 16.4 m -70.14 -41.25 74.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.72 -35.96 90.77 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 33.3 ttp -63.12 -51.05 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.702 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -53.61 -48.41 59.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.359 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -56.37 -43.64 79.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.443 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.98 -40.18 98.98 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.83 -42.24 93.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.865 0.364 . . . . 0.0 110.411 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -76.48 -40.38 50.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.607 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.17 65.85 2.62 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.55 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.64 -54.18 49.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.743 0.306 . . . . 0.0 110.674 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -58.99 -47.01 86.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.06 -38.35 95.42 Favored Glycine 0 C--O 1.226 -0.361 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.08 75.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.672 0.273 . . . . 0.0 110.814 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.45 -41.83 91.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.194 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.453 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.62 -47.48 78.42 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.6 -32.35 68.91 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.323 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.61 -43.84 88.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.735 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 98.0 mt -72.3 -46.18 58.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.5 OUTLIER -55.52 -16.42 3.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.57 -179.754 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.25 13.49 1.99 Allowed Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 65.06 138.7 0.02 OUTLIER Glycine 0 N--CA 1.462 0.422 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -71.93 -41.96 67.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.3 m -66.77 -37.58 84.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.703 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -39.14 97.42 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 29.7 ttp -57.96 -53.29 59.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.809 0.338 . . . . 0.0 110.714 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.9 mt -58.63 -40.1 78.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.398 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.56 -50.45 71.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.683 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.21 -26.97 69.86 Favored Glycine 0 CA--C 1.513 -0.079 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -65.38 -53.91 36.51 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.951 0.405 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . 0.486 ' C ' ' H ' ' C' ' 24' ' ' SER . 16.7 m-85 -70.95 -37.13 72.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.76 37.0 0.6 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.486 ' H ' ' C ' ' C' ' 22' ' ' TYR . 38.5 t . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.72 -47.51 78.01 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 116.864 0.332 . . . . 0.0 110.593 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -64.82 -43.44 93.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.3 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -36.65 90.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.48 -45.21 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.585 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.1 -45.61 90.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.75 -44.38 86.09 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -26.58 63.38 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.444 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 32.8 t80 -66.97 -40.57 87.5 Favored 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.652 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.3 mt -78.3 -19.66 13.46 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.278 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -96.46 -52.3 4.01 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.1 12.81 49.0 Favored Glycine 0 N--CA 1.471 0.996 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 61.4 -145.98 48.46 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.1 t-105 -55.37 -47.84 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.1 m -57.09 -40.29 76.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.743 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.7 91.79 Favored Glycine 0 C--N 1.309 -0.971 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.5 ttp -58.2 -46.85 85.1 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.81 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.56 -50.35 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.0 -42.25 89.62 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.817 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.62 96.85 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -67.54 -38.29 83.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.891 0.377 . . . . 0.0 110.619 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -76.37 -20.94 56.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.509 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.2 127.39 35.15 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.009 -0.995 . . . . 0.0 110.497 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.425 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp -60.43 -45.51 93.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.802 0.334 . . . . 0.0 110.45 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -56.08 -45.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.01 95.73 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -48.09 80.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.705 0.288 . . . . 0.0 110.543 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 63.7 mt -65.49 -47.95 84.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.88 0.371 . . . . 0.0 110.61 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.432 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -61.42 -46.36 90.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.469 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.515 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -64.16 -32.21 73.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -55.67 -44.51 77.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.226 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.1 mt -87.32 -55.73 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' B' ' 7' ' ' ALA . 30.7 mp0 -79.01 -46.72 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.965 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -69.07 -2.76 33.2 Favored Glycine 0 N--CA 1.461 0.345 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.56 117.24 0.11 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 35.7 p-90 -67.57 -36.77 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -72.94 -32.13 65.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.12 -43.8 79.41 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 37.4 ttp -60.08 -41.49 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 110.421 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.93 -44.63 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.403 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -61.65 -38.11 86.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.305 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.08 -42.59 76.31 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 8.3 t-105 -60.26 -44.03 95.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.843 0.354 . . . . 0.0 110.306 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -64.49 -43.12 95.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.658 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.07 76.25 0.24 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.519 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.36 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.96 -45.32 90.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.7 0.286 . . . . 0.0 110.384 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.51 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.3 -38.11 93.42 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.93 80.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.09 -43.22 98.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 120.939 0.399 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.64 97.64 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.17 -24.52 54.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -66.11 -43.79 86.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 55.6 mt -77.84 -40.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER -67.62 -6.24 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.542 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.87 -11.23 83.7 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.96 109.68 1.01 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -48.35 -51.33 26.82 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.782 0.325 . . . . 0.0 110.402 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.2 -24.04 67.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.672 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.0 -44.38 45.99 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 61.6 ttp -54.26 -48.46 71.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.77 0.319 . . . . 0.0 110.81 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.55 -48.02 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.527 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.12 -44.76 83.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.08 -33.61 84.02 Favored Glycine 0 CA--C 1.518 0.234 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -56.74 -56.26 23.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.773 0.321 . . . . 0.0 110.573 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' C' ' 24' ' ' SER . 34.3 m-85 -59.44 -40.6 87.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.36 45.87 1.01 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.402 ' H ' ' C ' ' C' ' 22' ' ' TYR . 39.7 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.611 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.8 tp -63.68 -57.74 9.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.811 0.338 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -67.43 -40.07 85.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.219 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.93 -38.74 76.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.76 77.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.685 0.278 . . . . 0.0 110.629 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.01 -44.15 85.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -66.85 -45.23 78.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.92 71.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.88 -41.06 97.42 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 120.941 0.4 . . . . 0.0 110.619 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.84 -39.74 78.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 5.4 mp0 -82.15 -51.02 8.39 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.51 35.42 4.98 Favored Glycine 0 N--CA 1.482 1.719 0 C-N-CA 121.137 -0.554 . . . . 0.0 111.798 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 38.19 -144.76 0.19 Allowed Glycine 0 CA--C 1.534 1.244 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' HE1' HD11 ' A' ' 18' ' ' ILE . 52.9 t-105 -52.45 -52.76 52.45 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.5 m -49.24 -38.31 26.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.19 -36.68 93.15 Favored Glycine 0 C--N 1.312 -0.794 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.9 ttp -59.1 -47.44 85.25 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.743 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.581 HD11 ' HE1' ' A' ' 14' ' ' TRP . 89.2 mt -62.42 -52.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.629 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.69 -41.78 91.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.794 0.33 . . . . 0.0 110.775 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -40.39 97.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -67.9 -37.42 81.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.826 0.346 . . . . 0.0 110.528 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 24' ' ' SER . 11.6 m-85 -80.12 -37.33 33.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.664 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.2 84.83 0.01 OUTLIER Glycine 0 CA--C 1.521 0.455 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' TYR . 3.2 t . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.702 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.28 -41.54 97.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.772 0.32 . . . . 0.0 110.499 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -57.11 -50.17 73.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.0 -40.18 98.13 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.62 68.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.726 0.298 . . . . 0.0 110.479 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.17 -43.02 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.2 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.391 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -64.89 -35.73 82.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.265 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -55.31 -40.54 71.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.917 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 69.8 mt -85.93 -58.47 3.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -80.0 -46.91 15.79 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.219 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -75.95 11.83 10.35 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 150.16 7.81 Favored Glycine 0 N--CA 1.463 0.461 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.508 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 41.6 p-90 -81.58 -38.5 26.02 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.898 0.38 . . . . 0.0 110.605 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.508 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 11.2 m -84.25 -26.56 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.129 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.02 -43.93 93.06 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 42.7 ttp -63.97 -43.14 96.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.925 0.393 . . . . 0.0 110.526 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.01 -44.07 99.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.344 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.71 -42.74 93.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.445 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.32 -39.05 96.66 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 13.5 t-105 -61.71 -42.81 99.45 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -73.81 -39.88 63.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.713 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.74 50.26 1.8 Allowed Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.476 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' C' ' 5' ' ' ALA . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 25.2 tp -47.07 -65.66 0.53 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.908 0.385 . . . . 0.0 110.475 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -62.26 -39.94 94.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.5 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.1 -34.41 89.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' C' ' 1' ' ' GLY . . . -63.86 -43.84 94.89 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.723 0.297 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -58.06 -46.45 88.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.206 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -65.59 -48.01 73.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -25.17 68.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.09 -39.72 78.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 69.0 mt -78.08 -41.49 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.984 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.3 OUTLIER -48.8 -32.05 8.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.644 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.68 4.09 4.41 Favored Glycine 0 CA--C 1.517 0.168 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 81.69 110.99 0.38 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' C' ' 15' ' ' THR . 1.0 OUTLIER -65.93 -34.83 79.02 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.422 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . 0.619 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 5.3 m -70.91 -41.37 71.33 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.369 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.72 -40.95 26.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.3 ttp -67.21 -50.69 59.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.819 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.64 -42.26 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -63.23 -43.71 97.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.55 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.49 -34.66 90.49 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.39 -53.6 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.364 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.85 -41.07 78.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.443 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.39 86.12 0.07 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.65 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.996 0 N-CA-C 109.299 -1.52 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -67.31 -43.06 82.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.388 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -65.81 -41.03 92.37 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.316 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.86 -39.43 91.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.29 96.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 0.0 110.568 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.69 -44.89 89.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' OE2' ' A' ' 11' ' ' GLU . . . -66.95 -45.06 78.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.56 -24.19 64.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.416 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 42.4 t80 -68.93 -40.25 79.13 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.458 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 70.6 mt -75.72 -29.51 20.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -92.14 -56.23 3.14 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.629 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.37 28.76 14.52 Favored Glycine 0 N--CA 1.471 0.991 0 N-CA-C 111.314 -0.715 . . . . 0.0 111.314 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 42.21 -146.97 0.62 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' HE1' HD11 ' A' ' 18' ' ' ILE . 27.4 t-105 -54.33 -52.68 60.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.728 0.299 . . . . 0.0 111.015 -179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.1 m -51.51 -38.81 55.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.792 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.04 -38.57 92.68 Favored Glycine 0 C--N 1.313 -0.711 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.5 ttp -55.77 -47.62 76.72 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.646 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.447 HD11 ' HE1' ' A' ' 14' ' ' TRP . 96.6 mt -61.77 -46.27 96.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.476 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -62.81 -45.03 94.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.34 . . . . 0.0 110.845 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.07 -39.27 97.39 Favored Glycine 0 CA--C 1.521 0.45 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -63.91 -44.41 93.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -83.35 -2.65 56.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.448 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.47 151.14 41.17 Favored Glycine 0 CA--C 1.517 0.214 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.486 179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.55 -46.9 80.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.725 0.298 . . . . 0.0 110.473 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -53.92 -44.81 70.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.461 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.77 -48.65 76.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.53 -51.86 57.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.322 . . . . 0.0 110.634 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -64.07 -48.26 86.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.636 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.5 91.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -62.8 -35.55 80.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.704 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -54.15 -44.11 71.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.301 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.7 mt -89.39 -57.47 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.735 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.61 -46.55 46.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.764 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -71.62 5.8 10.35 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.63 111.33 0.04 OUTLIER Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.495 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 29.2 p-90 -50.56 -45.72 57.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.807 0.337 . . . . 0.0 110.453 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.495 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 24.7 m -72.83 -25.38 61.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.555 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.49 92.06 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 18.8 ttp -70.56 -37.1 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.856 0.36 . . . . 0.0 110.556 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 mt -62.69 -46.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.306 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -67.58 -36.64 81.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.564 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.16 -36.73 90.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -69.06 -40.71 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 110.682 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.98 -42.73 80.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.49 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 78.09 0.7 Allowed Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.603 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tp -75.98 -44.24 40.65 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.831 0.348 . . . . 0.0 110.82 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -64.8 -37.01 86.18 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.556 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.5 -41.59 76.08 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.11 -47.82 78.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.638 0.256 . . . . 0.0 110.804 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.51 -43.41 86.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 120.893 0.378 . . . . 0.0 110.007 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OE2' ' C' ' 11' ' ' GLU . . . -64.89 -47.03 79.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.84 64.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.501 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . 0.528 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 41.3 t80 -69.75 -43.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 72.7 mt -80.57 -42.34 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.617 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.3 OUTLIER -61.56 -18.5 59.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.606 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.01 -4.33 58.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.03 126.29 0.22 Allowed Glycine 0 N--CA 1.463 0.448 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -55.25 -52.25 64.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.351 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 8.3 m -65.48 -26.8 68.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.502 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.3 -45.44 79.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . 0.528 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.7 ttp -58.6 -44.24 89.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.768 0.318 . . . . 0.0 110.784 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.93 -43.1 93.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.948 0.404 . . . . 0.0 110.739 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -58.46 -43.05 88.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.75 -36.12 66.55 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -52.71 -56.83 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.134 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . 0.417 ' C ' ' H ' ' C' ' 24' ' ' SER . 44.3 m-85 -65.08 -41.79 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.496 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.7 45.48 0.86 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . 0.417 ' H ' ' C ' ' C' ' 22' ' ' TYR . 34.7 t . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.2 tp -61.43 -55.74 27.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.821 0.343 . . . . 0.0 110.192 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -65.88 -41.67 91.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.236 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.56 -38.21 86.39 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.55 -46.38 86.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.77 92.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.25 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.446 ' O ' ' HA2' ' A' ' 13' ' ' GLY . 36.1 t80 -65.39 -41.24 93.89 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-O 120.885 0.374 . . . . 0.0 110.363 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.1 mt -75.24 -29.89 22.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -89.58 -53.72 4.4 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.17 28.63 13.84 Favored Glycine 0 N--CA 1.474 1.188 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 9' ' ' PHE . . . 44.35 -146.25 1.65 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.513 ' HE1' HD11 ' A' ' 18' ' ' ILE . 35.0 t-105 -54.42 -50.33 67.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.696 0.284 . . . . 0.0 110.836 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -53.51 -39.62 64.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.586 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.87 -36.34 92.01 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.6 ttp -57.78 -47.26 83.03 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.466 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 14' ' ' TRP . 66.4 mt -61.52 -48.82 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -59.25 -47.95 83.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.052 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.35 -38.48 94.74 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -66.5 -40.2 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.743 0.306 . . . . 0.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -89.18 -2.37 58.47 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.68 92.26 1.32 Allowed Glycine 0 CA--C 1.521 0.448 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.03 -45.17 93.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.775 0.321 . . . . 0.0 110.425 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -66.41 -42.46 87.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -38.86 95.46 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.48 -54.56 41.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -66.33 -36.14 76.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.31 -48.12 44.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.758 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.24 67.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.38 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.52 -46.67 46.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 60.6 mt -83.61 -58.49 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.826 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' B' ' 13' ' ' GLY . 8.8 mp0 -74.03 -45.32 50.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.718 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.5 15.49 2.07 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 52.14 100.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.454 ' CZ2' ' OG1' ' B' ' 15' ' ' THR . 37.0 p-90 -47.12 -44.6 21.63 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.793 0.33 . . . . 0.0 110.791 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.454 ' OG1' ' CZ2' ' B' ' 14' ' ' TRP . 24.9 m -66.35 -35.62 80.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.49 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.23 -37.79 95.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 28.3 ttp -63.77 -44.46 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.752 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.3 mt -57.89 -45.17 87.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.411 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -56.89 -42.07 79.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.51 -41.77 97.79 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -60.27 -40.17 89.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.847 0.356 . . . . 0.0 110.346 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.29 -43.22 28.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.634 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.27 91.41 0.01 OUTLIER Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.41 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.24 -56.63 17.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.76 0.314 . . . . 0.0 110.606 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -66.17 -48.73 69.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.64 -35.03 84.47 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.19 -46.16 71.43 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.562 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.98 -44.16 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.278 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -45.02 77.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.417 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.64 -35.77 80.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.759 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -66.1 -41.02 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.842 0.353 . . . . 0.0 110.691 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.52 -41.9 49.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.725 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -63.69 -16.52 61.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.673 -179.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.68 8.03 8.11 Favored Glycine 0 CA--C 1.521 0.406 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 70.96 104.07 0.05 OUTLIER Glycine 0 C--O 1.236 0.223 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -49.19 -41.32 36.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.758 0.313 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 15.4 m -62.07 -22.71 65.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.486 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.79 92.97 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 55.6 ttp -59.49 -50.67 73.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.604 0.24 . . . . 0.0 111.15 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 30.4 mt -61.93 -42.38 94.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.228 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -60.28 -50.77 72.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.69 -21.04 66.8 Favored Glycine 0 C--O 1.227 -0.315 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.62 -48.58 38.38 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.929 0.395 . . . . 0.0 110.265 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -74.92 -33.93 62.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.44 46.02 3.35 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.59 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.48 -49.35 77.92 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 120.625 0.25 . . . . 0.0 110.379 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -65.27 -39.53 92.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.051 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.52 91.18 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.8 -41.62 95.67 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.67 -45.37 88.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.524 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.09 87.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.468 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 12' ' ' GLY . . . -68.79 -28.07 66.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -65.82 -40.88 92.27 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.26 -27.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -54.7 3.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -103.97 30.88 9.39 Favored Glycine 0 N--CA 1.478 1.462 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.83 -148.16 0.43 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.525 ' HE1' HD11 ' A' ' 18' ' ' ILE . 21.5 t-105 -56.18 -38.97 71.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.682 0.277 . . . . 0.0 110.696 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.3 m -61.26 -36.22 79.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.62 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -70.54 -36.11 68.2 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.341 -0.704 . . . . 0.0 111.341 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 54.4 ttp -59.04 -45.8 89.85 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.17 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.525 HD11 ' HE1' ' A' ' 14' ' ' TRP . 53.5 mt -62.92 -51.11 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.61 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.94 -22.32 65.52 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.89 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.49 -40.47 9.89 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -77.45 -30.04 53.11 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.699 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -79.87 -39.16 31.16 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.788 0.327 . . . . 0.0 110.437 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.4 120.69 9.4 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.499 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.29 -46.8 87.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.798 0.332 . . . . 0.0 110.453 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -57.06 -44.79 83.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.515 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.23 -51.45 57.48 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.17 -53.64 47.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.77 0.319 . . . . 0.0 110.472 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 88.5 mt -66.58 -43.15 90.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.408 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -62.43 -45.5 92.82 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.51 -179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.97 65.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -59.38 -49.7 76.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 39.4 mt -83.92 -57.07 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 13' ' ' GLY . 26.8 mp0 -72.53 -54.97 7.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.24 24.0 0.73 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 61.22 137.83 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 34.9 p-90 -80.01 -36.92 35.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.815 0.341 . . . . 0.0 110.315 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -71.62 -33.48 69.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.41 -40.49 99.13 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 19.9 ttp -60.33 -46.01 91.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.69 -45.92 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.414 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.12 -43.05 99.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.24 -29.1 74.06 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -71.19 -45.53 63.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 110.56 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.09 -28.9 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.74 90.99 1.65 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.427 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 109.411 -1.475 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 67.7 tp -56.2 -55.62 30.95 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.524 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.95 -47.01 72.94 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.45 -39.53 96.42 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.46 80.46 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 120.57 0.224 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.31 -41.49 78.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.954 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.256 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.16 -22.43 64.85 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.528 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . 0.562 ' CZ ' ' SD ' ' C' ' 17' ' ' MET . 26.8 t80 -67.93 -46.17 72.27 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 51.0 mt -74.46 -46.74 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.432 ' C ' ' H ' ' C' ' 13' ' ' GLY . 0.9 OUTLIER -55.55 -19.66 10.7 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 9.55 5.44 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 62.6 138.64 0.01 OUTLIER Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 27.8 t-105 -65.49 -46.58 79.17 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.776 0.322 . . . . 0.0 110.728 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -67.53 -37.49 82.81 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.594 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.96 -37.6 92.26 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . 0.562 ' SD ' ' CZ ' ' C' ' 9' ' ' PHE . 59.9 ttp -60.07 -52.28 66.02 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.604 0.24 . . . . 0.0 111.105 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 60.0 mt -61.98 -43.09 97.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.928 0.394 . . . . 0.0 110.437 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.96 -47.04 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.797 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.61 -24.81 71.3 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -65.28 -57.12 9.24 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.04 0.448 . . . . 0.0 110.484 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -65.56 -32.91 74.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.23 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.84 92.68 0.11 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.591 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.959 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.48 -48.75 79.7 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.203 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -65.37 -45.43 84.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.341 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.13 -36.85 76.77 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.27 79.16 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.5 mt -66.48 -43.84 90.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.665 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -67.33 -45.03 77.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.74 -23.08 64.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -70.0 -41.37 74.44 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-O 120.904 0.383 . . . . 0.0 110.486 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -73.19 -28.77 26.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 7' ' ' ALA . 0.6 OUTLIER -92.42 -52.9 4.44 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.504 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -106.79 32.76 6.96 Favored Glycine 0 N--CA 1.477 1.397 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.69 -146.13 0.38 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -54.41 -53.06 59.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -50.83 -39.01 52.26 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.433 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -65.89 -37.86 93.7 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.1 ttp -58.5 -45.77 88.05 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.9 mt -61.02 -47.33 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.784 0.326 . . . . 0.0 110.599 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -63.97 -39.84 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.938 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.12 -40.35 96.85 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -68.02 -36.85 80.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.475 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -80.32 -16.46 54.55 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.296 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.07 95.53 0.35 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.572 179.891 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.78 -41.88 97.88 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.338 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -60.55 -45.45 93.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.66 -44.14 97.14 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.74 -55.81 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.62 -41.18 84.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.222 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.463 ' O ' ' OE1' ' B' ' 11' ' ' GLU . . . -64.87 -47.06 79.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.557 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.496 ' O ' ' CA ' ' B' ' 12' ' ' GLY . . . -63.79 -24.11 67.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.403 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -69.56 -41.27 76.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.174 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 84.1 mt -87.2 -40.55 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' B' ' 7' ' ' ALA . 52.9 mp0 -96.75 -45.73 6.55 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.201 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' B' ' 8' ' ' ALA . . . -73.84 10.77 6.71 Favored Glycine 0 N--CA 1.464 0.555 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' B' ' 11' ' ' GLU . . . 68.82 131.44 0.05 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -75.36 -32.76 60.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.964 0.411 . . . . 0.0 110.131 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 10.7 m -73.28 -38.85 65.76 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.778 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.46 -34.81 90.24 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 6.7 ttt -65.93 -41.73 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.837 0.351 . . . . 0.0 110.498 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.73 -43.54 98.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.72 -39.73 85.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.57 -42.01 99.68 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -63.63 -44.8 92.84 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.745 0.307 . . . . 0.0 110.369 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -68.89 -36.99 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.2 89.84 0.04 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.568 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.067 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 45.4 tp -57.26 -50.54 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.7 0.286 . . . . 0.0 110.534 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -62.13 -43.0 99.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.908 0.385 . . . . 0.0 110.659 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.58 -37.02 89.17 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.89 -45.73 91.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.609 0.242 . . . . 0.0 110.907 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.13 -42.55 96.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 0.0 110.019 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . 0.423 ' O ' ' OE1' ' C' ' 11' ' ' GLU . . . -63.08 -46.16 88.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.512 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -25.33 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -69.78 -42.19 74.13 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.893 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 77.4 mt -77.76 -32.94 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.423 ' OE1' ' O ' ' C' ' 7' ' ' ALA . 0.6 OUTLIER -66.13 -26.21 67.34 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.495 -179.219 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.26 -1.19 12.85 Favored Glycine 0 CA--C 1.517 0.178 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.73 116.72 0.15 Allowed Glycine 0 CA--C 1.52 0.349 0 N-CA-C 111.496 -0.641 . . . . 0.0 111.496 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -59.71 -23.81 63.47 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.063 -0.569 . . . . 0.0 110.553 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -82.4 -31.47 29.62 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.26 -41.3 96.83 Favored Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 45.0 ttp -58.37 -44.44 88.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.706 0.289 . . . . 0.0 111.084 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.47 -45.1 98.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -55.73 -45.81 77.88 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.771 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -41.08 95.68 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -52.11 -53.03 47.63 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.986 0.422 . . . . 0.0 110.272 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -68.85 -35.29 76.75 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.394 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.73 84.09 1.49 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.218 -0.558 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.522 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.78 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.29 -47.07 85.94 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.811 0.339 . . . . 0.0 110.34 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -65.52 -40.77 93.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.253 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 -39.03 91.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.07 96.48 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.52 -47.39 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.03 92.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.594 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.35 -30.07 68.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -60.37 -39.8 88.53 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 120.919 0.39 . . . . 0.0 110.491 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -73.86 -38.46 50.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.372 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -79.91 -54.64 5.62 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.26 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.43 34.06 5.93 Favored Glycine 0 N--CA 1.48 1.575 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.18 -144.94 0.59 Allowed Glycine 0 CA--C 1.534 1.256 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -56.66 -34.97 67.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 120.785 0.326 . . . . 0.0 110.687 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.5 m -61.79 -41.45 97.74 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.52 -35.45 86.67 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.6 ttp -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.523 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.58 -50.24 81.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.576 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.78 -44.77 93.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.916 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.47 -38.66 96.14 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -68.12 -41.12 82.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 110.741 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -73.34 -39.37 65.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -47.54 118.02 3.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.458 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.27 -45.93 89.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.271 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -51.92 -41.67 62.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.517 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.38 -50.79 61.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.52 -47.21 66.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.326 . . . . 0.0 110.554 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.05 -42.87 89.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.615 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' B' ' 12' ' ' GLY . . . -68.34 -28.63 67.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.449 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -63.93 -39.83 95.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.078 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 57.1 mt -88.0 -48.84 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.87 -44.07 15.84 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.226 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' B' ' 8' ' ' ALA . . . -80.75 12.29 36.01 Favored Glycine 0 N--CA 1.465 0.616 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.88 145.99 0.95 Allowed Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' TRP . . . . . 0.502 ' CH2' ' OG1' ' B' ' 15' ' ' THR . 56.1 p-90 -81.05 -34.01 33.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.008 0.432 . . . . 0.0 110.432 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.502 ' OG1' ' CH2' ' B' ' 14' ' ' TRP . 50.4 m -83.4 -16.69 44.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.85 -34.94 62.02 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttp -74.44 -40.53 61.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.812 0.339 . . . . 0.0 110.548 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.62 -44.67 82.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.544 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.34 -38.16 85.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.31 38.94 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -55.64 -44.8 77.5 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.776 0.322 . . . . 0.0 110.325 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' B' ' 24' ' ' SER . 6.7 m-85 -68.57 -43.32 76.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -54.48 88.76 0.01 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.447 ' N ' ' O ' ' B' ' 22' ' ' TYR . 13.8 t . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 32.8 tp -55.63 -49.18 73.54 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.622 0.249 . . . . 0.0 111.1 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -60.72 -46.36 90.7 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.718 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.76 92.92 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.2 -45.7 87.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.615 0.245 . . . . 0.0 110.925 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 92.3 mt -60.16 -47.61 91.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.952 0.406 . . . . 0.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.37 -44.13 92.36 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.402 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.33 -27.24 64.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.34 -39.66 92.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.863 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 68.5 mt -79.66 -40.61 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.179 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.559 ' OE1' ' N ' ' C' ' 11' ' ' GLU . 0.1 OUTLIER -58.47 -33.72 70.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.359 . . . . 0.0 110.42 -179.623 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.28 6.82 2.11 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' C' ' 11' ' ' GLU . . . 76.24 98.19 0.15 Allowed Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' C' ' 15' ' ' THR . 0.1 OUTLIER -53.71 -26.16 21.81 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 110.598 179.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' THR . . . . . 0.569 ' N ' ' CD1' ' C' ' 14' ' ' TRP . 4.1 m -82.26 -13.3 57.25 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.496 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.22 -42.46 75.54 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' MET . . . . . . . . . . . . . 63.8 ttp -61.6 -42.5 98.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.67 0.271 . . . . 0.0 110.728 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.66 -49.09 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.623 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.61 -44.25 80.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.545 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.76 -32.42 82.87 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -59.3 -54.4 47.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.832 0.349 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.4 -35.19 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.436 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.21 78.15 1.96 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.497 -179.967 . . . . . . . . 0 0 . 1 stop_ save_